5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide

C29H26FN7O2 — CID 59198025

IUPAC5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1Nc1nccc(-c2cncc(N3CCOCC3)c2)n1
InChIInChI=1S/C29H26FN7O2/c1-18-2-4-22(33-28(38)27-14-19-12-21(30)3-5-24(19)34-27)15-26(18)36-29-32-7-6-25(35-29)20-13-23(17-31-16-20)37-8-10-39-11-9-37/h2-7,12-17,34H,8-11H2,1H3,(H,33,38)(H,32,35,36)
InChIKeyBNBNJMNRIWYYJS-UHFFFAOYSA-N
MW523.57 g/mol
LogP5.30
Rot. Bonds6

About 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide

5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide (PubChem CID 59198025) has the molecular formula C29H26FN7O2 and a molecular weight of 523.57 g/mol. Its IUPAC name is 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide
PubChem CID59198025
Molecular FormulaC29H26FN7O2
Molecular Weight523.57 g/mol
Exact Mass523.21
IUPAC Name5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1Nc1nccc(-c2cncc(N3CCOCC3)c2)n1
InChIInChI=1S/C29H26FN7O2/c1-18-2-4-22(33-28(38)27-14-19-12-21(30)3-5-24(19)34-27)15-26(18)36-29-32-7-6-25(35-29)20-13-23(17-31-16-20)37-8-10-39-11-9-37/h2-7,12-17,34H,8-11H2,1H3,(H,33,38)(H,32,35,36)
InChIKeyBNBNJMNRIWYYJS-UHFFFAOYSA-N
XLogP5.30
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.57
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Delavuridine
CID 72346
Piperazine, 1-(3-(ethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-
CID 453217
1-[[5-[[(4-Methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[N-ethyl-N-[3-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]piperidine
CID 462978
N-(2-(Dimethylamino)ethyl)-N-methyl-4-(((4-(4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo(2,3-d)pyrimidin-2-yl)phenyl)carbamoyl)amino)benzamide
CID 44599690
Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453391
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
CID 454732
1H-indol-2-yl-[4-[[3-(isopropylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]methanone
CID 462952
6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121335283
Bay-707
CID 129012086
N-[2-[4-[ethyl-[3-(ethylamino)-2-pyridyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methyl-piperazine-1-carboxamide
CID 462974
1-[[5-[[(4-Methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[N-ethyl-N-[3-[(1-methylethyl)amino]-2-pyridinyl]amino]piperidine
CID 462976
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280164

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide (CID 59198025) is 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1Nc1nccc(-c2cncc(N3CCOCC3)c2)n1.
What is the InChIKey of 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide?
The InChIKey is BNBNJMNRIWYYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7O2/c1-18-2-4-22(33-28(38)27-14-19-12-21(30)3-5-24(19)34-27)15-26(18)36-29-32-7-6-25(35-29)20-13-23(17-31-16-20)37-8-10-39-11-9-37/h2-7,12-17,34H,8-11H2,1H3,(H,33,38)(H,32,35,36).
What are the key properties of 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide?
5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide has a molecular weight of 523.57 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 59198025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).