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

C22H25FN8O2 — CID 90199894

IUPAC2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H25FN8O2/c23-15-11-26-20-18(19(24)28-31(20)13-15)21(32)27-16-12-25-6-3-17(16)29-9-4-14(5-10-29)22(33)30-7-1-2-8-30/h3,6,11-14H,1-2,4-5,7-10H2,(H2,24,28)(H,27,32)
InChIKeyCMDZQOIAPZTZNJ-UHFFFAOYSA-N
MW452.49 g/mol
LogP1.94
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199894) has the molecular formula C22H25FN8O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199894
Molecular FormulaC22H25FN8O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC Name2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H25FN8O2/c23-15-11-26-20-18(19(24)28-31(20)13-15)21(32)27-16-12-25-6-3-17(16)29-9-4-14(5-10-29)22(33)30-7-1-2-8-30/h3,6,11-14H,1-2,4-5,7-10H2,(H2,24,28)(H,27,32)
InChIKeyCMDZQOIAPZTZNJ-UHFFFAOYSA-N
XLogP1.94
TPSA121.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199894) is 2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)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-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CMDZQOIAPZTZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O2/c23-15-11-26-20-18(19(24)28-31(20)13-15)21(32)27-16-12-25-6-3-17(16)29-9-4-14(5-10-29)22(33)30-7-1-2-8-30/h3,6,11-14H,1-2,4-5,7-10H2,(H2,24,28)(H,27,32).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 1.94, 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-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).