5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide

C26H27N9O2 — CID 170194211

IUPAC5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccc[nH]3)cnn12
InChIInChI=1S/C26H27N9O2/c1-15-14-37-8-7-33(15)23-10-22(35-26(31-23)20(13-30-35)21-5-4-6-29-21)24-16(2)32-34(17(24)3)19-9-18(25(27)36)11-28-12-19/h4-6,9-13,15,29H,7-8,14H2,1-3H3,(H2,27,36)/t15-/m1/s1
InChIKeyLWEWKBJAOBPMRF-OAHLLOKOSA-N
MW497.56 g/mol
LogP2.91
Rot. Bonds5

About 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide

5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 170194211) has the molecular formula C26H27N9O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID170194211
Molecular FormulaC26H27N9O2
Molecular Weight497.56 g/mol
Exact Mass497.23
IUPAC Name5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccc[nH]3)cnn12
InChIInChI=1S/C26H27N9O2/c1-15-14-37-8-7-33(15)23-10-22(35-26(31-23)20(13-30-35)21-5-4-6-29-21)24-16(2)32-34(17(24)3)19-9-18(25(27)36)11-28-12-19/h4-6,9-13,15,29H,7-8,14H2,1-3H3,(H2,27,36)/t15-/m1/s1
InChIKeyLWEWKBJAOBPMRF-OAHLLOKOSA-N
XLogP2.91
TPSA132.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]-1H-pyridin-2-one
CID 170194206
5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide
CID 168831993
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061181
(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 163822192
(3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 168678884
5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide
CID 50971334
tert-butyl 4-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-[1-methyl-2-(oxan-2-yl)pyrazol-1-ium-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 170194506
(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[1-(5-isocyano-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 168831952
3-[7-[3,5-dimethyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 170053227
(3R)-4-[4-(3,5-dimethyltriazol-4-yl)-5-methyl-7-(1H-pyrrol-2-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170219728
1-[4-[1-(5-chloro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine
CID 168831925
3-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 177088872

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide (CID 170194211) is 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide is Cc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccc[nH]3)cnn12.
What is the InChIKey of 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is LWEWKBJAOBPMRF-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H27N9O2/c1-15-14-37-8-7-33(15)23-10-22(35-26(31-23)20(13-30-35)21-5-4-6-29-21)24-16(2)32-34(17(24)3)19-9-18(25(27)36)11-28-12-19/h4-6,9-13,15,29H,7-8,14H2,1-3H3,(H2,27,36)/t15-/m1/s1.
What are the key properties of 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide?
5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 170194211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).