7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C24H25FN4O4 — CID 146592248

IUPAC7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(OC[C@@H]4CCCO4)cc3F)cc12
InChIInChI=1S/C24H25FN4O4/c1-26-24(31)18-11-27-22(29-23(30)13-4-5-13)21-17(18)10-20(28-21)16-7-6-14(9-19(16)25)33-12-15-3-2-8-32-15/h6-7,9-11,13,15,28H,2-5,8,12H2,1H3,(H,26,31)(H,27,29,30)/t15-/m0/s1
InChIKeyJLNFAUQECBJCPQ-HNNXBMFYSA-N
MW452.49 g/mol
LogP3.63
Rot. Bonds7

About 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592248) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592248
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(OC[C@@H]4CCCO4)cc3F)cc12
InChIInChI=1S/C24H25FN4O4/c1-26-24(31)18-11-27-22(29-23(30)13-4-5-13)21-17(18)10-20(28-21)16-7-6-14(9-19(16)25)33-12-15-3-2-8-32-15/h6-7,9-11,13,15,28H,2-5,8,12H2,1H3,(H,26,31)(H,27,29,30)/t15-/m0/s1
InChIKeyJLNFAUQECBJCPQ-HNNXBMFYSA-N
XLogP3.63
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592248) is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(OC[C@@H]4CCCO4)cc3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is JLNFAUQECBJCPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-26-24(31)18-11-27-22(29-23(30)13-4-5-13)21-17(18)10-20(28-21)16-7-6-14(9-19(16)25)33-12-15-3-2-8-32-15/h6-7,9-11,13,15,28H,2-5,8,12H2,1H3,(H,26,31)(H,27,29,30)/t15-/m0/s1.
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).