4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C64H89IN18O8Si2 — CID 161407441

IUPAC4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCOC1(C(=O)NC=O)CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2I)CC1.COCCOC1(c2ncn[nH]2)CCC(c2cc(N)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1.NN
InChIInChI=1S/C38H56IN7O6Si2.C26H29N9O2.H4N2/c1-49-17-18-52-38(37(48)40-26-47)15-13-29(14-16-38)34-33(39)36(44(27-50-19-21-53(2,3)4)28-51-20-22-54(5,6)7)46-35(43-34)32(24-42-46)30-23-41-45(25-30)31-11-9-8-10-12-31;1-36-11-12-37-26(25-28-17-29-33-25)9-7-18(8-10-26)22-13-23(27)35-24(32-22)21(15-31-35)19-14-30-34(16-19)20-5-3-2-4-6-20;1-2/h8-12,23-26,29H,13-22,27-28H2,1-7H3,(H,40,47,48);2-6,13-18H,7-12,27H2,1H3,(H,28,29,33);1-2H2
InChIKeyVVAHQFAMPLBWOS-UHFFFAOYSA-N
MW1421.61 g/mol
LogP9.27
Rot. Bonds28

About 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161407441) has the molecular formula C64H89IN18O8Si2 and a molecular weight of 1421.61 g/mol. Its IUPAC name is 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID161407441
Molecular FormulaC64H89IN18O8Si2
Molecular Weight1421.61 g/mol
Exact Mass1420.57
IUPAC Name4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCOC1(C(=O)NC=O)CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2I)CC1.COCCOC1(c2ncn[nH]2)CCC(c2cc(N)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1.NN
InChIInChI=1S/C38H56IN7O6Si2.C26H29N9O2.H4N2/c1-49-17-18-52-38(37(48)40-26-47)15-13-29(14-16-38)34-33(39)36(44(27-50-19-21-53(2,3)4)28-51-20-22-54(5,6)7)46-35(43-34)32(24-42-46)30-23-41-45(25-30)31-11-9-8-10-12-31;1-36-11-12-37-26(25-28-17-29-33-25)9-7-18(8-10-26)22-13-23(27)35-24(32-22)21(15-31-35)19-14-30-34(16-19)20-5-3-2-4-6-20;1-2/h8-12,23-26,29H,13-22,27-28H2,1-7H3,(H,40,47,48);2-6,13-18H,7-12,27H2,1H3,(H,28,29,33);1-2H2
InChIKeyVVAHQFAMPLBWOS-UHFFFAOYSA-N
XLogP9.27
TPSA320.44 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001421.61
LogP ≤ 59.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
CID 66583731
5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(2-methoxyethoxy)-4-(2H-tetrazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 160626548
5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-6-methylsulfonyl-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 66583364
4-[7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N'-hydroxy-1-(2-methoxyethoxy)cyclohexane-1-carboximidamide
CID 123891056
4-[7-amino-6-methylsulfanyl-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)-N-methylcyclohexane-1-carboxamide
CID 66583701
sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane
CID 159051695
4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)-2-(2-methoxyethyl)cyclohexane-1-carboxylic acid
CID 66584993
4-[7-amino-3-[1-(4-fluorophenyl)pyrazol-4-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
CID 56849127
[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol
CID 158661436
4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid
CID 56849068
6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-phenylpyrazol-4-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70217083
5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 86686669

Frequently Asked Questions

What is the IUPAC name of 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 161407441) is 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is COCCOC1(C(=O)NC=O)CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2I)CC1.COCCOC1(c2ncn[nH]2)CCC(c2cc(N)n3ncc(-c4cnn(-c5ccccc5)c4)c3n2)CC1.NN.
What is the InChIKey of 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VVAHQFAMPLBWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56IN7O6Si2.C26H29N9O2.H4N2/c1-49-17-18-52-38(37(48)40-26-47)15-13-29(14-16-38)34-33(39)36(44(27-50-19-21-53(2,3)4)28-51-20-22-54(5,6)7)46-35(43-34)32(24-42-46)30-23-41-45(25-30)31-11-9-8-10-12-31;1-36-11-12-37-26(25-28-17-29-33-25)9-7-18(8-10-26)22-13-23(27)35-24(32-22)21(15-31-35)19-14-30-34(16-19)20-5-3-2-4-6-20;1-2/h8-12,23-26,29H,13-22,27-28H2,1-7H3,(H,40,47,48);2-6,13-18H,7-12,27H2,1H3,(H,28,29,33);1-2H2.
What are the key properties of 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1421.61 g/mol, XLogP of 9.27, 28 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161407441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).