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

C20H21FN6O — CID 67500744

IUPAC5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)CC1
InChIInChI=1S/C20H21FN6O/c1-20(5-6-20)25-19(28)15-12-23-27-8-4-17(24-18(15)27)26-7-2-3-16(26)13-9-14(21)11-22-10-13/h4,8-12,16H,2-3,5-7H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyUEWLKIVHINNLJX-MRXNPFEDSA-N
MW380.43 g/mol
LogP2.89
Rot. Bonds4

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

5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500744) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500744
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)CC1
InChIInChI=1S/C20H21FN6O/c1-20(5-6-20)25-19(28)15-12-23-27-8-4-17(24-18(15)27)26-7-2-3-16(26)13-9-14(21)11-22-10-13/h4,8-12,16H,2-3,5-7H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyUEWLKIVHINNLJX-MRXNPFEDSA-N
XLogP2.89
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500744) is 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cncc(F)c4)nc23)CC1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UEWLKIVHINNLJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-20(5-6-20)25-19(28)15-12-23-27-8-4-17(24-18(15)27)26-7-2-3-16(26)13-9-14(21)11-22-10-13/h4,8-12,16H,2-3,5-7H2,1H3,(H,25,28)/t16-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).