2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide

C18H15FN6O2 — CID 163251487

IUPAC2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1c(-c2[nH]nc3nc(NC(=O)C4CC4F)ccc23)ccc2[nH]cnc12
InChIInChI=1S/C18H15FN6O2/c1-27-16-8(2-4-12-15(16)21-7-20-12)14-9-3-5-13(22-17(9)25-24-14)23-18(26)10-6-11(10)19/h2-5,7,10-11H,6H2,1H3,(H,20,21)(H2,22,23,24,25,26)
InChIKeyOWAIGKBGNYCYGM-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.81
Rot. Bonds4

About 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide

2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide (PubChem CID 163251487) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
PubChem CID163251487
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1c(-c2[nH]nc3nc(NC(=O)C4CC4F)ccc23)ccc2[nH]cnc12
InChIInChI=1S/C18H15FN6O2/c1-27-16-8(2-4-12-15(16)21-7-20-12)14-9-3-5-13(22-17(9)25-24-14)23-18(26)10-6-11(10)19/h2-5,7,10-11H,6H2,1H3,(H,20,21)(H2,22,23,24,25,26)
InChIKeyOWAIGKBGNYCYGM-UHFFFAOYSA-N
XLogP2.81
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide (CID 163251487) is 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide is COc1c(-c2[nH]nc3nc(NC(=O)C4CC4F)ccc23)ccc2[nH]cnc12.
What is the InChIKey of 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is OWAIGKBGNYCYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-27-16-8(2-4-12-15(16)21-7-20-12)14-9-3-5-13(22-17(9)25-24-14)23-18(26)10-6-11(10)19/h2-5,7,10-11H,6H2,1H3,(H,20,21)(H2,22,23,24,25,26).
What are the key properties of 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(4-methoxy-1H-benzimidazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163251487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).