2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23FN8O2 — CID 90199654

IUPAC2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C21H23FN8O2/c22-13-10-25-20-18(19(23)27-30(20)12-13)21(32)26-15-11-24-6-3-16(15)28-8-4-14(5-9-28)29-7-1-2-17(29)31/h3,6,10-12,14H,1-2,4-5,7-9H2,(H2,23,27)(H,26,32)
InChIKeyGNVRMCVXCJFQCE-UHFFFAOYSA-N
MW438.47 g/mol
LogP1.69
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199654) has the molecular formula C21H23FN8O2 and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199654
Molecular FormulaC21H23FN8O2
Molecular Weight438.47 g/mol
Exact Mass438.19
IUPAC Name2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C21H23FN8O2/c22-13-10-25-20-18(19(23)27-30(20)12-13)21(32)26-15-11-24-6-3-16(15)28-8-4-14(5-9-28)29-7-1-2-17(29)31/h3,6,10-12,14H,1-2,4-5,7-9H2,(H2,23,27)(H,26,32)
InChIKeyGNVRMCVXCJFQCE-UHFFFAOYSA-N
XLogP1.69
TPSA121.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199654) is 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GNVRMCVXCJFQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8O2/c22-13-10-25-20-18(19(23)27-30(20)12-13)21(32)26-15-11-24-6-3-16(15)28-8-4-14(5-9-28)29-7-1-2-17(29)31/h3,6,10-12,14H,1-2,4-5,7-9H2,(H2,23,27)(H,26,32).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.47 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).