5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide

C22H20F2N6O — CID 71233777

IUPAC5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(Nc3nccc(-c4cc(C(C)(F)F)ccn4)n3)ccc2[nH]1
InChIInChI=1S/C22H20F2N6O/c1-22(23,24)14-6-8-25-18(12-14)17-7-9-26-21(29-17)27-15-4-5-16-13(10-15)11-19(28-16)20(31)30(2)3/h4-12,28H,1-3H3,(H,26,27,29)
InChIKeyAXLXMDXNNRUMBW-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.58
Rot. Bonds5

About 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide

5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 71233777) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID71233777
Molecular FormulaC22H20F2N6O
Molecular Weight422.44 g/mol
Exact Mass422.17
IUPAC Name5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(Nc3nccc(-c4cc(C(C)(F)F)ccn4)n3)ccc2[nH]1
InChIInChI=1S/C22H20F2N6O/c1-22(23,24)14-6-8-25-18(12-14)17-7-9-26-21(29-17)27-15-4-5-16-13(10-15)11-19(28-16)20(31)30(2)3/h4-12,28H,1-3H3,(H,26,27,29)
InChIKeyAXLXMDXNNRUMBW-UHFFFAOYSA-N
XLogP4.58
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-[5-[[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone
CID 71233837
N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 71233732
5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
CID 71233770
N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 126644745
[5-[[4-[4-(iodomethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 89395487
[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233665
[5-[[4-[4-(3-hydroxy-2-methylpropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71235779
[5-[[4-[4-[(2R)-3-methoxybutan-2-yl]oxy-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71235860
[4-(2-methoxyethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233752
(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 78043501
[5-[[4-(4-butoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
CID 71233763
[4-(oxan-4-ylmethyl)piperidin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 123649106

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide (CID 71233777) is 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cc(C(C)(F)F)ccn4)n3)ccc2[nH]1.
What is the InChIKey of 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is AXLXMDXNNRUMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O/c1-22(23,24)14-6-8-25-18(12-14)17-7-9-26-21(29-17)27-15-4-5-16-13(10-15)11-19(28-16)20(31)30(2)3/h4-12,28H,1-3H3,(H,26,27,29).
What are the key properties of 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71233777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).