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

C56H49N9O3 — CID 159256004

IUPAC5-[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
SMILESNC(=O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12.O=C(O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12
InChIInChI=1S/C28H25N5O.C28H24N4O2/c29-27(34)25-9-5-6-22-23(25)7-4-8-24(22)26-17-31-33-18-20(16-30-28(26)33)19-10-12-21(13-11-19)32-14-2-1-3-15-32;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/h4-13,16-18H,1-3,14-15H2,(H2,29,34);4-13,16-18H,1-3,14-15H2,(H,33,34)
InChIKeyKVXDRVDAPJRRQP-UHFFFAOYSA-N
MW896.07 g/mol
LogP11.21
Rot. Bonds8

About 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

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 159256004) has the molecular formula C56H49N9O3 and a molecular weight of 896.07 g/mol. Its IUPAC name is 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 Name5-[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 CID159256004
Molecular FormulaC56H49N9O3
Molecular Weight896.07 g/mol
Exact Mass895.40
IUPAC Name5-[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
SMILESNC(=O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12.O=C(O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12
InChIInChI=1S/C28H25N5O.C28H24N4O2/c29-27(34)25-9-5-6-22-23(25)7-4-8-24(22)26-17-31-33-18-20(16-30-28(26)33)19-10-12-21(13-11-19)32-14-2-1-3-15-32;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/h4-13,16-18H,1-3,14-15H2,(H2,29,34);4-13,16-18H,1-3,14-15H2,(H,33,34)
InChIKeyKVXDRVDAPJRRQP-UHFFFAOYSA-N
XLogP11.21
TPSA147.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.07
LogP ≤ 511.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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

5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 158733425
ethane;5-[6-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 145001741
4-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 130214229
N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 118664711
N-methyl-1-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethenamine
CID 167566973
ethane;5-[6-[4-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 145001732
tert-butyl (4R)-5-[4-[3-(4-carbamoylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-2,5-diazabicyclo[2.2.0]hexane-2-carboxylate
CID 118670234
[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol
CID 118894226
4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 142464374
N-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]sulfanylmethanamine
CID 167058498
N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide
CID 158576099
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845

Frequently Asked Questions

What is the IUPAC name of 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 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 159256004) is 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 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 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 NC(=O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12.O=C(O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12.
What is the InChIKey of 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 KVXDRVDAPJRRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O.C28H24N4O2/c29-27(34)25-9-5-6-22-23(25)7-4-8-24(22)26-17-31-33-18-20(16-30-28(26)33)19-10-12-21(13-11-19)32-14-2-1-3-15-32;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/h4-13,16-18H,1-3,14-15H2,(H2,29,34);4-13,16-18H,1-3,14-15H2,(H,33,34).
What are the key properties of 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?
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 896.07 g/mol, XLogP of 11.21, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 159256004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).