2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide

C20H18FN5O2 — CID 163252352

IUPAC2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
SMILESCOc1c(-c2cc3cc(NC(=O)C4CC4F)ncc3n2C)ccc2cn[nH]c12
InChIInChI=1S/C20H18FN5O2/c1-26-15(12-4-3-10-8-23-25-18(10)19(12)28-2)5-11-6-17(22-9-16(11)26)24-20(27)13-7-14(13)21/h3-6,8-9,13-14H,7H2,1-2H3,(H,23,25)(H,22,24,27)
InChIKeyHLBNOIDIKFRDCS-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.42
Rot. Bonds4

About 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide

2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide (PubChem CID 163252352) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
PubChem CID163252352
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
SMILESCOc1c(-c2cc3cc(NC(=O)C4CC4F)ncc3n2C)ccc2cn[nH]c12
InChIInChI=1S/C20H18FN5O2/c1-26-15(12-4-3-10-8-23-25-18(10)19(12)28-2)5-11-6-17(22-9-16(11)26)24-20(27)13-7-14(13)21/h3-6,8-9,13-14H,7H2,1-2H3,(H,23,25)(H,22,24,27)
InChIKeyHLBNOIDIKFRDCS-UHFFFAOYSA-N
XLogP3.42
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide (CID 163252352) is 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide is COc1c(-c2cc3cc(NC(=O)C4CC4F)ncc3n2C)ccc2cn[nH]c12.
What is the InChIKey of 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide?
The InChIKey is HLBNOIDIKFRDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-26-15(12-4-3-10-8-23-25-18(10)19(12)28-2)5-11-6-17(22-9-16(11)26)24-20(27)13-7-14(13)21/h3-6,8-9,13-14H,7H2,1-2H3,(H,23,25)(H,22,24,27).
What are the key properties of 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163252352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).