3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide

C24H25ClN6O — CID 66547932

IUPAC3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3CC2CC2)c(Cl)c1
InChIInChI=1S/C24H25ClN6O/c1-29(2)24(32)16-6-7-20(19(25)8-16)28-23-10-22-17(11-26-23)9-21(18-12-27-30(3)14-18)31(22)13-15-4-5-15/h6-12,14-15H,4-5,13H2,1-3H3,(H,26,28)
InChIKeyMNYZLNLWVPDZLX-UHFFFAOYSA-N
MW448.96 g/mol
LogP4.95
Rot. Bonds6

About 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide

3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide (PubChem CID 66547932) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide
PubChem CID66547932
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3CC2CC2)c(Cl)c1
InChIInChI=1S/C24H25ClN6O/c1-29(2)24(32)16-6-7-20(19(25)8-16)28-23-10-22-17(11-26-23)9-21(18-12-27-30(3)14-18)31(22)13-15-4-5-15/h6-12,14-15H,4-5,13H2,1-3H3,(H,26,28)
InChIKeyMNYZLNLWVPDZLX-UHFFFAOYSA-N
XLogP4.95
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide (CID 66547932) is 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3CC2CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is MNYZLNLWVPDZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-29(2)24(32)16-6-7-20(19(25)8-16)28-23-10-22-17(11-26-23)9-21(18-12-27-30(3)14-18)31(22)13-15-4-5-15/h6-12,14-15H,4-5,13H2,1-3H3,(H,26,28).
What are the key properties of 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide?
3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 448.96 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 66547932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).