2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22FN7O2 — CID 90212174

IUPAC2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2ccncc2NC(=O)C2C(N)NN3CC(F)CNC23)cn1
InChIInChI=1S/C18H22FN7O2/c1-28-14-3-2-10(6-22-14)12-4-5-21-8-13(12)24-18(27)15-16(20)25-26-9-11(19)7-23-17(15)26/h2-6,8,11,15-17,23,25H,7,9,20H2,1H3,(H,24,27)
InChIKeyLIVDIGHETHZAQR-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.08
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90212174) has the molecular formula C18H22FN7O2 and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90212174
Molecular FormulaC18H22FN7O2
Molecular Weight387.42 g/mol
Exact Mass387.18
IUPAC Name2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2ccncc2NC(=O)C2C(N)NN3CC(F)CNC23)cn1
InChIInChI=1S/C18H22FN7O2/c1-28-14-3-2-10(6-22-14)12-4-5-21-8-13(12)24-18(27)15-16(20)25-26-9-11(19)7-23-17(15)26/h2-6,8,11,15-17,23,25H,7,9,20H2,1H3,(H,24,27)
InChIKeyLIVDIGHETHZAQR-UHFFFAOYSA-N
XLogP0.08
TPSA117.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[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-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90212174) is 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2ccncc2NC(=O)C2C(N)NN3CC(F)CNC23)cn1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LIVDIGHETHZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7O2/c1-28-14-3-2-10(6-22-14)12-4-5-21-8-13(12)24-18(27)15-16(20)25-26-9-11(19)7-23-17(15)26/h2-6,8,11,15-17,23,25H,7,9,20H2,1H3,(H,24,27).
What are the key properties of 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90212174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).