5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide

C21H19FN6O — CID 71233770

IUPAC5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(Nc2nccc(-c3cccc(F)n3)n2)cc2cc(C(=O)N(C)C)[nH]c12
InChIInChI=1S/C21H19FN6O/c1-12-9-14(10-13-11-17(26-19(12)13)20(29)28(2)3)24-21-23-8-7-16(27-21)15-5-4-6-18(22)25-15/h4-11,26H,1-3H3,(H,23,24,27)
InChIKeyYRWZSTWVWJHMLU-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.91
Rot. Bonds4

About 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide

5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide (PubChem CID 71233770) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
PubChem CID71233770
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(Nc2nccc(-c3cccc(F)n3)n2)cc2cc(C(=O)N(C)C)[nH]c12
InChIInChI=1S/C21H19FN6O/c1-12-9-14(10-13-11-17(26-19(12)13)20(29)28(2)3)24-21-23-8-7-16(27-21)15-5-4-6-18(22)25-15/h4-11,26H,1-3H3,(H,23,24,27)
InChIKeyYRWZSTWVWJHMLU-UHFFFAOYSA-N
XLogP3.91
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 71233732
1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one
CID 153235210
7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide
CID 148886269
5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
CID 71233777
7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide
CID 176932576
[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71233748
2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine
CID 160858815
7-bromo-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;ethylboronic acid;7-ethyl-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 157370546
[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(diazinan-1-yl)methanone
CID 71233785
N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 171354399
3-[2-(3,5-difluoroanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylic acid
CID 163218205
[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(methylamino)methanol
CID 123249748

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide (CID 71233770) is 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide is Cc1cc(Nc2nccc(-c3cccc(F)n3)n2)cc2cc(C(=O)N(C)C)[nH]c12.
What is the InChIKey of 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide?
The InChIKey is YRWZSTWVWJHMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-9-14(10-13-11-17(26-19(12)13)20(29)28(2)3)24-21-23-8-7-16(27-21)15-5-4-6-18(22)25-15/h4-11,26H,1-3H3,(H,23,24,27).
What are the key properties of 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide?
5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71233770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).