N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide

C19H20N8O — CID 171432733

IUPACN-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide
SMILESCCNc1nccc(-c2cc3cnc(NC(=O)c4cnn(C)c4)cc3n2C)n1
InChIInChI=1S/C19H20N8O/c1-4-20-19-21-6-5-14(24-19)16-7-12-9-22-17(8-15(12)27(16)3)25-18(28)13-10-23-26(2)11-13/h5-11H,4H2,1-3H3,(H,20,21,24)(H,22,25,28)
InChIKeyYZXRQNWCIQTGAU-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.45
Rot. Bonds5

About N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide

N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 171432733) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide
PubChem CID171432733
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide
SMILESCCNc1nccc(-c2cc3cnc(NC(=O)c4cnn(C)c4)cc3n2C)n1
InChIInChI=1S/C19H20N8O/c1-4-20-19-21-6-5-14(24-19)16-7-12-9-22-17(8-15(12)27(16)3)25-18(28)13-10-23-26(2)11-13/h5-11H,4H2,1-3H3,(H,20,21,24)(H,22,25,28)
InChIKeyYZXRQNWCIQTGAU-UHFFFAOYSA-N
XLogP2.45
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl)-1-methylpyrazole-4-carboxamide
CID 171432749
N-tert-butyl-1-methyl-2-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine
CID 164564711
N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
CID 79729400
1-methyl-N-[2-[2-(1,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
CID 175479516
1-methyl-N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)pyrazole-4-carboxamide
CID 169097850
ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate
CID 176905513
methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate
CID 90468210
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174
1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine
CID 90468214
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
1-cyclopropyl-N-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138588243
2-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590246

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide (CID 171432733) is N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide is CCNc1nccc(-c2cc3cnc(NC(=O)c4cnn(C)c4)cc3n2C)n1.
What is the InChIKey of N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YZXRQNWCIQTGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-4-20-19-21-6-5-14(24-19)16-7-12-9-22-17(8-15(12)27(16)3)25-18(28)13-10-23-26(2)11-13/h5-11H,4H2,1-3H3,(H,20,21,24)(H,22,25,28).
What are the key properties of N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide?
N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylamino)pyrimidin-4-yl]-1-methylpyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 171432733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).