N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21FN6O — CID 67501221

IUPACN-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12
InChIInChI=1S/C20H21FN6O/c21-15-8-14(10-22-11-15)17-2-1-6-26(17)18-5-7-27-19(25-18)16(12-24-27)20(28)23-9-13-3-4-13/h5,7-8,10-13,17H,1-4,6,9H2,(H,23,28)
InChIKeyYIKVOJGIIXEFHZ-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.74
Rot. Bonds5

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

N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501221) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501221
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12
InChIInChI=1S/C20H21FN6O/c21-15-8-14(10-22-11-15)17-2-1-6-26(17)18-5-7-27-19(25-18)16(12-24-27)20(28)23-9-13-3-4-13/h5,7-8,10-13,17H,1-4,6,9H2,(H,23,28)
InChIKeyYIKVOJGIIXEFHZ-UHFFFAOYSA-N
XLogP2.74
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501221) is N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCC1CC1)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12.
What is the InChIKey of N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YIKVOJGIIXEFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-15-8-14(10-22-11-15)17-2-1-6-26(17)18-5-7-27-19(25-18)16(12-24-27)20(28)23-9-13-3-4-13/h5,7-8,10-13,17H,1-4,6,9H2,(H,23,28).
What are the key properties of N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).