(4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one

C26H31N7O4 — CID 176875103

IUPAC(4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one
SMILESCOc1cnc(OC2CC2)c(-c2cnn3ccc(N4CCN(C(=O)C[C@H]5CC(=O)N(C)C5)CC4)nc23)c1
InChIInChI=1S/C26H31N7O4/c1-30-16-17(11-23(30)34)12-24(35)32-9-7-31(8-10-32)22-5-6-33-25(29-22)21(15-28-33)20-13-19(36-2)14-27-26(20)37-18-3-4-18/h5-6,13-15,17-18H,3-4,7-12,16H2,1-2H3/t17-/m1/s1
InChIKeySCBCLUSUUOZOSR-QGZVFWFLSA-N
MW505.58 g/mol
LogP1.86
Rot. Bonds7

About (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one

(4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one (PubChem CID 176875103) has the molecular formula C26H31N7O4 and a molecular weight of 505.58 g/mol. Its IUPAC name is (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one
PubChem CID176875103
Molecular FormulaC26H31N7O4
Molecular Weight505.58 g/mol
Exact Mass505.24
IUPAC Name(4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one
SMILESCOc1cnc(OC2CC2)c(-c2cnn3ccc(N4CCN(C(=O)C[C@H]5CC(=O)N(C)C5)CC4)nc23)c1
InChIInChI=1S/C26H31N7O4/c1-30-16-17(11-23(30)34)12-24(35)32-9-7-31(8-10-32)22-5-6-33-25(29-22)21(15-28-33)20-13-19(36-2)14-27-26(20)37-18-3-4-18/h5-6,13-15,17-18H,3-4,7-12,16H2,1-2H3/t17-/m1/s1
InChIKeySCBCLUSUUOZOSR-QGZVFWFLSA-N
XLogP1.86
TPSA105.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

[4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 177112419
propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 86697443
tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 175841358
3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 166518423
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75489932
5-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175761276
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
2-(3-methoxyphenyl)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 16589661
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 121395070
ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86664565
2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992978

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one (CID 176875103) is (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one is COc1cnc(OC2CC2)c(-c2cnn3ccc(N4CCN(C(=O)C[C@H]5CC(=O)N(C)C5)CC4)nc23)c1.
What is the InChIKey of (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one?
The InChIKey is SCBCLUSUUOZOSR-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H31N7O4/c1-30-16-17(11-23(30)34)12-24(35)32-9-7-31(8-10-32)22-5-6-33-25(29-22)21(15-28-33)20-13-19(36-2)14-27-26(20)37-18-3-4-18/h5-6,13-15,17-18H,3-4,7-12,16H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one?
(4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one has a molecular weight of 505.58 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 176875103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).