N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H29N5O2 — CID 58636570

IUPACN,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(N3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H29N5O2/c1-30(2)27(33)24-18-29-32-25(24)28-17-23(26(32)31-15-7-4-8-16-31)21-11-13-22(14-12-21)34-19-20-9-5-3-6-10-20/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3
InChIKeyDDTGLRNXAZJMSX-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.67
Rot. Bonds6

About N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58636570) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58636570
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC NameN,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(N3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H29N5O2/c1-30(2)27(33)24-18-29-32-25(24)28-17-23(26(32)31-15-7-4-8-16-31)21-11-13-22(14-12-21)34-19-20-9-5-3-6-10-20/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3
InChIKeyDDTGLRNXAZJMSX-UHFFFAOYSA-N
XLogP4.67
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-phenyl-2-[[6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propanoic acid
CID 58636572
N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15958107
4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoic acid
CID 66611962
methyl 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxobutanoate
CID 15958094
7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15957960
2-N,2-N-dimethyl-4-phenylmethoxybenzene-1,2-dicarboxamide
CID 69299072
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide
CID 15958097
7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957966
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide
CID 146940797
benzyl 4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoate
CID 66611924

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58636570) is N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c(N3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12.
What is the InChIKey of N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DDTGLRNXAZJMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-30(2)27(33)24-18-29-32-25(24)28-17-23(26(32)31-15-7-4-8-16-31)21-11-13-22(14-12-21)34-19-20-9-5-3-6-10-20/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-phenylmethoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58636570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).