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

C25H26N8O2 — CID 170194206

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]-1H-pyridin-2-one
SMILESCc1nn(-c2ccc(=O)[nH]c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccc[nH]3)cnn12
InChIInChI=1S/C25H26N8O2/c1-15-14-35-10-9-31(15)22-11-21(33-25(29-22)19(13-28-33)20-5-4-8-26-20)24-16(2)30-32(17(24)3)18-6-7-23(34)27-12-18/h4-8,11-13,15,26H,9-10,14H2,1-3H3,(H,27,34)/t15-/m1/s1
InChIKeyRECGGNJVGPTJQB-OAHLLOKOSA-N
MW470.54 g/mol
LogP3.11
Rot. Bonds4

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]-1H-pyridin-2-one

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 (PubChem CID 170194206) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 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]-1H-pyridin-2-one.

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]-1H-pyridin-2-one
PubChem CID170194206
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
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]-1H-pyridin-2-one
SMILESCc1nn(-c2ccc(=O)[nH]c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccc[nH]3)cnn12
InChIInChI=1S/C25H26N8O2/c1-15-14-35-10-9-31(15)22-11-21(33-25(29-22)19(13-28-33)20-5-4-8-26-20)24-16(2)30-32(17(24)3)18-6-7-23(34)27-12-18/h4-8,11-13,15,26H,9-10,14H2,1-3H3,(H,27,34)/t15-/m1/s1
InChIKeyRECGGNJVGPTJQB-OAHLLOKOSA-N
XLogP3.11
TPSA109.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]pyridine-3-carboxamide
CID 170194211
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
(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
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-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061194
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061239
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
3-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 170053225
(3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 169035109
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

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]-1H-pyridin-2-one?
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]-1H-pyridin-2-one (CID 170194206) 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]-1H-pyridin-2-one.
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]-1H-pyridin-2-one?
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]-1H-pyridin-2-one is Cc1nn(-c2ccc(=O)[nH]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]-1H-pyridin-2-one?
The InChIKey is RECGGNJVGPTJQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-15-14-35-10-9-31(15)22-11-21(33-25(29-22)19(13-28-33)20-5-4-8-26-20)24-16(2)30-32(17(24)3)18-6-7-23(34)27-12-18/h4-8,11-13,15,26H,9-10,14H2,1-3H3,(H,27,34)/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]-1H-pyridin-2-one?
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 has a molecular weight of 470.54 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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]-1H-pyridin-2-one is sourced from PubChem (CID 170194206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).