N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid

C57H51N9O3 — CID 159988595

IUPACN-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
SMILESCNC(=O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12.O=C(O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12
InChIInChI=1S/C29H27N5O.C28H24N4O2/c1-30-29(35)26-10-6-7-23-24(26)8-5-9-25(23)27-18-32-34-19-21(17-31-28(27)34)20-11-13-22(14-12-20)33-15-3-2-4-16-33;33-28(34)25-9-5-6-22-23(25)7-4-8-24(22)26-17-30-32-18-20(16-29-27(26)32)19-10-12-21(13-11-19)31-14-2-1-3-15-31/h5-14,17-19H,2-4,15-16H2,1H3,(H,30,35);4-13,16-18H,1-3,14-15H2,(H,33,34)
InChIKeyOGQNYUFGFSZNDH-UHFFFAOYSA-N
MW910.10 g/mol
LogP11.47
Rot. Bonds8

About N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid

N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid (PubChem CID 159988595) has the molecular formula C57H51N9O3 and a molecular weight of 910.10 g/mol. Its IUPAC name is N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound NameN-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
PubChem CID159988595
Molecular FormulaC57H51N9O3
Molecular Weight910.10 g/mol
Exact Mass909.41
IUPAC NameN-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
SMILESCNC(=O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12.O=C(O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12
InChIInChI=1S/C29H27N5O.C28H24N4O2/c1-30-29(35)26-10-6-7-23-24(26)8-5-9-25(23)27-18-32-34-19-21(17-31-28(27)34)20-11-13-22(14-12-20)33-15-3-2-4-16-33;33-28(34)25-9-5-6-22-23(25)7-4-8-24(22)26-17-30-32-18-20(16-29-27(26)32)19-10-12-21(13-11-19)31-14-2-1-3-15-31/h5-14,17-19H,2-4,15-16H2,1H3,(H,30,35);4-13,16-18H,1-3,14-15H2,(H,33,34)
InChIKeyOGQNYUFGFSZNDH-UHFFFAOYSA-N
XLogP11.47
TPSA133.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.10
LogP ≤ 511.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid with MolForge

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Related Compounds

6-[4-(Dimethylamino)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600254
6-(4-Acetamidophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600397
6-(3-Phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600677
6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71601059
4-[2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzoic acid
CID 162659758
4-[6-(4-Piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-8-carboxylic acid
CID 117620471
4-[[4-[4-Amino-3-[1-[(2-fluorophenyl)methyl]indol-5-yl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]amino]benzoic acid
CID 68455530
3-[[4-[4-Amino-3-[1-[(2-fluorophenyl)methyl]indol-5-yl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]amino]benzoic acid
CID 68455549
4-[[4-[4-Amino-3-[1-[(2-fluorophenyl)methyl]indol-5-yl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]amino]-2-ethylbenzoic acid
CID 68458685
2-Methyl-3-[7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
CID 69192081
3-(N-[4-[4-amino-3-[1-[(2-fluorophenyl)methyl]indol-5-yl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]anilino)benzoic acid
CID 69291988
N-[3-[[6-[(1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[1-methyl-6-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 157166632

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
The IUPAC name of N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid (CID 159988595) is N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid.
What is the SMILES notation for N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
The canonical SMILES for N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid is CNC(=O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12.O=C(O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12.
What is the InChIKey of N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
The InChIKey is OGQNYUFGFSZNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O.C28H24N4O2/c1-30-29(35)26-10-6-7-23-24(26)8-5-9-25(23)27-18-32-34-19-21(17-31-28(27)34)20-11-13-22(14-12-20)33-15-3-2-4-16-33;33-28(34)25-9-5-6-22-23(25)7-4-8-24(22)26-17-30-32-18-20(16-29-27(26)32)19-10-12-21(13-11-19)31-14-2-1-3-15-31/h5-14,17-19H,2-4,15-16H2,1H3,(H,30,35);4-13,16-18H,1-3,14-15H2,(H,33,34).
What are the key properties of N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid has a molecular weight of 910.10 g/mol, XLogP of 11.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 159988595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).