N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

About N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86691729) has the molecular formula C20H20ClFN6O3 and a molecular weight of 446.87 g/mol. Its IUPAC name is N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID	86691729
Molecular Formula	C20H20ClFN6O3
Molecular Weight	446.87 g/mol
Exact Mass	446.13
IUPAC Name	N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(=O)CCl)c2n1
InChI	InChI=1S/C20H20ClFN6O3/c1-31-20-14(7-12(22)9-24-20)16-3-2-5-27(16)17-4-6-28-18(26-17)15(11-25-28)19(30)23-10-13(29)8-21/h4,6-7,9,11,16H,2-3,5,8,10H2,1H3,(H,23,30)/t16-/m1/s1
InChIKey	WKZGXRXWDBFHIR-MRXNPFEDSA-N
XLogP	2.15
TPSA	101.72 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.87
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86691729) is N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(=O)CCl)c2n1.

What is the InChIKey of N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is WKZGXRXWDBFHIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20ClFN6O3/c1-31-20-14(7-12(22)9-24-20)16-3-2-5-27(16)17-4-6-28-18(26-17)15(11-25-28)19(30)23-10-13(29)8-21/h4,6-7,9,11,16H,2-3,5,8,10H2,1H3,(H,23,30)/t16-/m1/s1.

What are the key properties of N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 446.87 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-oxopropyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86691729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).