N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20ClFN6O3 — CID 67471084

About N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67471084) has the molecular formula C19H20ClFN6O3 and a molecular weight of 434.86 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 67471084
• Molecular Formula: C19H20ClFN6O3
• Molecular Weight: 434.86 g/mol
• Exact Mass: 434.13
• IUPAC Name: N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NCC(O)CCl)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12
• InChI: InChI=1S/C19H20ClFN6O3/c20-7-12(28)9-23-19(30)14-10-24-27-5-3-16(25-17(14)27)26-4-1-2-15(26)13-6-11(21)8-22-18(13)29/h3,5-6,8,10,12,15,28H,1-2,4,7,9H2,(H,22,29)(H,23,30)/t12?,15-/m1/s1
• InChIKey: KVUBTXDHSWHRTJ-WPZCJLIBSA-N
• XLogP: 1.23
• TPSA: 115.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.86
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67471084) is N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCC(O)CCl)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12.

What is the InChIKey of N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KVUBTXDHSWHRTJ-WPZCJLIBSA-N. The full InChI is InChI=1S/C19H20ClFN6O3/c20-7-12(28)9-23-19(30)14-10-24-27-5-3-16(25-17(14)27)26-4-1-2-15(26)13-6-11(21)8-22-18(13)29/h3,5-6,8,10,12,15,28H,1-2,4,7,9H2,(H,22,29)(H,23,30)/t12?,15-/m1/s1.

What are the key properties of N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.86 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-hydroxypropyl)-5-[(2R)-2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67471084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).