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

C18H14FN7O2 — CID 90198963

IUPAC2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cccnc1
InChIInChI=1S/C18H14FN7O2/c1-28-13-8-22-7-12(14(13)10-3-2-4-21-5-10)24-18(27)15-16(20)25-26-9-11(19)6-23-17(15)26/h2-9H,1H3,(H2,20,25)(H,24,27)
InChIKeyXBQZSMMMQICHMZ-UHFFFAOYSA-N
MW379.36 g/mol
LogP2.17
Rot. Bonds4

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

2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90198963) has the molecular formula C18H14FN7O2 and a molecular weight of 379.36 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90198963
Molecular FormulaC18H14FN7O2
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Name2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cccnc1
InChIInChI=1S/C18H14FN7O2/c1-28-13-8-22-7-12(14(13)10-3-2-4-21-5-10)24-18(27)15-16(20)25-26-9-11(19)6-23-17(15)26/h2-9H,1H3,(H2,20,25)(H,24,27)
InChIKeyXBQZSMMMQICHMZ-UHFFFAOYSA-N
XLogP2.17
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.17
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-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90198963) is 2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cccnc1.
What is the InChIKey of 2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XBQZSMMMQICHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O2/c1-28-13-8-22-7-12(14(13)10-3-2-4-21-5-10)24-18(27)15-16(20)25-26-9-11(19)6-23-17(15)26/h2-9H,1H3,(H2,20,25)(H,24,27).
What are the key properties of 2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 379.36 g/mol, XLogP of 2.17, 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-(5-methoxy-4-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90198963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).