7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

C20H17ClN6O — CID 71233789

IUPAC7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1
InChIInChI=1S/C20H17ClN6O/c1-27(2)19(28)17-10-12-9-13(11-14(21)18(12)25-17)24-20-23-8-6-16(26-20)15-5-3-4-7-22-15/h3-11,25H,1-2H3,(H,23,24,26)
InChIKeyMSNVKDQUANKICU-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.12
Rot. Bonds4

About 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (PubChem CID 71233789) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
PubChem CID71233789
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1
InChIInChI=1S/C20H17ClN6O/c1-27(2)19(28)17-10-12-9-13(11-14(21)18(12)25-17)24-20-23-8-6-16(26-20)15-5-3-4-7-22-15/h3-11,25H,1-2H3,(H,23,24,26)
InChIKeyMSNVKDQUANKICU-UHFFFAOYSA-N
XLogP4.12
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (CID 71233789) is 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The InChIKey is MSNVKDQUANKICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-27(2)19(28)17-10-12-9-13(11-14(21)18(12)25-17)24-20-23-8-6-16(26-20)15-5-3-4-7-22-15/h3-11,25H,1-2H3,(H,23,24,26).
What are the key properties of 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 71233789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).