N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide

C25H30N6O — CID 146283990

IUPACN,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
SMILESCc1cc(-c2cnn(C)c2)cc(C(C)C)c1Nc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C25H30N6O/c1-16(2)21-12-18(19-13-27-30(6)14-19)11-17(3)24(21)28-25-20-8-10-31(15-23(32)29(4)5)22(20)7-9-26-25/h7-14,16H,15H2,1-6H3,(H,26,28)
InChIKeyXRNHAHCGANECHQ-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.70
Rot. Bonds6

About N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide

N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide (PubChem CID 146283990) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
PubChem CID146283990
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
SMILESCc1cc(-c2cnn(C)c2)cc(C(C)C)c1Nc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C25H30N6O/c1-16(2)21-12-18(19-13-27-30(6)14-19)11-17(3)24(21)28-25-20-8-10-31(15-23(32)29(4)5)22(20)7-9-26-25/h7-14,16H,15H2,1-6H3,(H,26,28)
InChIKeyXRNHAHCGANECHQ-UHFFFAOYSA-N
XLogP4.70
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 158557883
N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 146283914
2-[4-[(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)amino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283900
N,N-dimethyl-2-[4-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]imidazo[4,5-c]pyridin-1-yl]acetamide
CID 156521753
N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 161271654
2-[4-(2,4-difluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376780
N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
CID 153376876
2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 156521862
N-(2,4-dimethyl-3-pyridinyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288653
N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288620
N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
CID 68704641

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide (CID 146283990) is N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide is Cc1cc(-c2cnn(C)c2)cc(C(C)C)c1Nc1nccc2c1ccn2CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The InChIKey is XRNHAHCGANECHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16(2)21-12-18(19-13-27-30(6)14-19)11-17(3)24(21)28-25-20-8-10-31(15-23(32)29(4)5)22(20)7-9-26-25/h7-14,16H,15H2,1-6H3,(H,26,28).
What are the key properties of N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide has a molecular weight of 430.56 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide is sourced from PubChem (CID 146283990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).