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

C23H21FN8O2 — CID 90199793

IUPAC2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C23H21FN8O2/c24-16-11-28-21-19(20(25)30-32(21)13-16)22(33)29-18-12-27-6-5-17(18)14-1-3-15(4-2-14)23(34)31-9-7-26-8-10-31/h1-6,11-13,26H,7-10H2,(H2,25,30)(H,29,33)
InChIKeyYLOWRDPGQHHPPI-UHFFFAOYSA-N
MW460.47 g/mol
LogP1.81
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199793) has the molecular formula C23H21FN8O2 and a molecular weight of 460.47 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199793
Molecular FormulaC23H21FN8O2
Molecular Weight460.47 g/mol
Exact Mass460.18
IUPAC Name2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C23H21FN8O2/c24-16-11-28-21-19(20(25)30-32(21)13-16)22(33)29-18-12-27-6-5-17(18)14-1-3-15(4-2-14)23(34)31-9-7-26-8-10-31/h1-6,11-13,26H,7-10H2,(H2,25,30)(H,29,33)
InChIKeyYLOWRDPGQHHPPI-UHFFFAOYSA-N
XLogP1.81
TPSA130.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199793) is 2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YLOWRDPGQHHPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O2/c24-16-11-28-21-19(20(25)30-32(21)13-16)22(33)29-18-12-27-6-5-17(18)14-1-3-15(4-2-14)23(34)31-9-7-26-8-10-31/h1-6,11-13,26H,7-10H2,(H2,25,30)(H,29,33).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 460.47 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(piperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).