5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H30F2N6O2 — CID 67501467

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(CN1CCOCC1)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
InChIInChI=1S/C25H30F2N6O2/c1-25(2,16-31-10-12-35-13-11-31)30-24(34)19-15-28-33-9-7-22(29-23(19)33)32-8-3-4-21(32)18-14-17(26)5-6-20(18)27/h5-7,9,14-15,21H,3-4,8,10-13,16H2,1-2H3,(H,30,34)
InChIKeyKKDAOAYKDHBBPF-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.19
Rot. Bonds6

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501467) has the molecular formula C25H30F2N6O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501467
Molecular FormulaC25H30F2N6O2
Molecular Weight484.55 g/mol
Exact Mass484.24
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(CN1CCOCC1)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
InChIInChI=1S/C25H30F2N6O2/c1-25(2,16-31-10-12-35-13-11-31)30-24(34)19-15-28-33-9-7-22(29-23(19)33)32-8-3-4-21(32)18-14-17(26)5-6-20(18)27/h5-7,9,14-15,21H,3-4,8,10-13,16H2,1-2H3,(H,30,34)
InChIKeyKKDAOAYKDHBBPF-UHFFFAOYSA-N
XLogP3.19
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

tert-butyl N-[2-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-methylpropyl]carbamate
CID 66848131
tert-butyl N-[2-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-methylpropyl]carbamate
CID 66848130
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2R)-2,3-dihydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500507
5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500752
1-tert-butyl-3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 46188752
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139449691
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86664577
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 67500261
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-fluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 90788377
(E)-N-tert-butyl-3-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-enamide
CID 121395239
5-[(2R)-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 68910098
2-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-4-yl]acetaldehyde
CID 88580144

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501467) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(CN1CCOCC1)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KKDAOAYKDHBBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O2/c1-25(2,16-31-10-12-35-13-11-31)30-24(34)19-15-28-33-9-7-22(29-23(19)33)32-8-3-4-21(32)18-14-17(26)5-6-20(18)27/h5-7,9,14-15,21H,3-4,8,10-13,16H2,1-2H3,(H,30,34).
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).