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

C22H25F2N9O2 — CID 86720979

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C22H25F2N9O2/c23-14-9-28-20-17(19(25)30-33(20)12-14)21(34)29-16-11-27-10-15(24)18(16)31-5-1-13(2-6-31)22(35)32-7-3-26-4-8-32/h9-13,26H,1-8H2,(H2,25,30)(H,29,34)
InChIKeyICYWWCROPRXAKM-UHFFFAOYSA-N
MW485.50 g/mol
LogP0.89
Rot. Bonds4

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

2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86720979) has the molecular formula C22H25F2N9O2 and a molecular weight of 485.50 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86720979
Molecular FormulaC22H25F2N9O2
Molecular Weight485.50 g/mol
Exact Mass485.21
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C22H25F2N9O2/c23-14-9-28-20-17(19(25)30-33(20)12-14)21(34)29-16-11-27-10-15(24)18(16)31-5-1-13(2-6-31)22(35)32-7-3-26-4-8-32/h9-13,26H,1-8H2,(H2,25,30)(H,29,34)
InChIKeyICYWWCROPRXAKM-UHFFFAOYSA-N
XLogP0.89
TPSA133.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86720979) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-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-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCNCC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ICYWWCROPRXAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N9O2/c23-14-9-28-20-17(19(25)30-33(20)12-14)21(34)29-16-11-27-10-15(24)18(16)31-5-1-13(2-6-31)22(35)32-7-3-26-4-8-32/h9-13,26H,1-8H2,(H2,25,30)(H,29,34).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 485.50 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86720979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).