N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine

C43H45N17S — CID 143440126

IUPACN-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2cc(C3CCC(c4nn(C)cc4-c4cnn5c(Nc6ccc(-n7ccnc7)cc6)cc(C6CCCNC6)nc45)NC3)nc3c(-c4cnn(C)c4)cnn23)sn1
InChIInChI=1S/C43H45N17S/c1-26-15-40(61-55-26)53-39-17-37(51-42-32(21-48-60(39)42)29-20-47-56(2)23-29)28-6-11-35(46-19-28)41-34(24-57(3)54-41)33-22-49-59-38(16-36(52-43(33)59)27-5-4-12-44-18-27)50-30-7-9-31(10-8-30)58-14-13-45-25-58/h7-10,13-17,20-25,27-28,35,44,46,50,53H,4-6,11-12,18-19H2,1-3H3
InChIKeyMACRLLRFRSMRFW-UHFFFAOYSA-N
MW832.02 g/mol
LogP6.69
Rot. Bonds10

About N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine

N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 143440126) has the molecular formula C43H45N17S and a molecular weight of 832.02 g/mol. Its IUPAC name is N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID143440126
Molecular FormulaC43H45N17S
Molecular Weight832.02 g/mol
Exact Mass831.38
IUPAC NameN-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2cc(C3CCC(c4nn(C)cc4-c4cnn5c(Nc6ccc(-n7ccnc7)cc6)cc(C6CCCNC6)nc45)NC3)nc3c(-c4cnn(C)c4)cnn23)sn1
InChIInChI=1S/C43H45N17S/c1-26-15-40(61-55-26)53-39-17-37(51-42-32(21-48-60(39)42)29-20-47-56(2)23-29)28-6-11-35(46-19-28)41-34(24-57(3)54-41)33-22-49-59-38(16-36(52-43(33)59)27-5-4-12-44-18-27)50-30-7-9-31(10-8-30)58-14-13-45-25-58/h7-10,13-17,20-25,27-28,35,44,46,50,53H,4-6,11-12,18-19H2,1-3H3
InChIKeyMACRLLRFRSMRFW-UHFFFAOYSA-N
XLogP6.69
TPSA174.85 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 56.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

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Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(5-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145713
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145714
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(3-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145715
N-[3-[1-(1H-benzimidazol-2-ylmethyl)pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 59503644
N-(1-benzylpiperidin-4-yl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
CID 56661886
N-[6-methyl-3-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 70683503
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[piperidin-1-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine
CID 145968148
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[[6-(piperidin-1-ylmethyl)-2-pyridinyl]methyl]-1,2-thiazol-5-amine
CID 145968159
3-[(cyclopentylamino)-pyridin-2-ylmethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 145968605
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-3-ylmethyl)-1,2-thiazol-5-amine
CID 145969024
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[pyridin-2-yl(pyrrolidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 145970381
3-[(4-fluoropiperidin-1-yl)-pyridin-2-ylmethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 145970612

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine (CID 143440126) is N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2cc(C3CCC(c4nn(C)cc4-c4cnn5c(Nc6ccc(-n7ccnc7)cc6)cc(C6CCCNC6)nc45)NC3)nc3c(-c4cnn(C)c4)cnn23)sn1.
What is the InChIKey of N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is MACRLLRFRSMRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45N17S/c1-26-15-40(61-55-26)53-39-17-37(51-42-32(21-48-60(39)42)29-20-47-56(2)23-29)28-6-11-35(46-19-28)41-34(24-57(3)54-41)33-22-49-59-38(16-36(52-43(33)59)27-5-4-12-44-18-27)50-30-7-9-31(10-8-30)58-14-13-45-25-58/h7-10,13-17,20-25,27-28,35,44,46,50,53H,4-6,11-12,18-19H2,1-3H3.
What are the key properties of N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine?
N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 832.02 g/mol, XLogP of 6.69, 10 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[4-[7-(4-imidazol-1-ylanilino)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]-1-methylpyrazol-3-yl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 143440126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).