1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine

C21H23N5O — CID 71447343

IUPAC1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCC(C)Oc1cccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)c1
InChIInChI=1S/C21H23N5O/c1-14(2)27-18-7-5-6-17(9-18)24-21-10-20-15(11-22-21)8-19(26(20)4)16-12-23-25(3)13-16/h5-14H,1-4H3,(H,22,24)
InChIKeyMFMAIFJXPCAVTI-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.50
Rot. Bonds5

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

1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 71447343) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
PubChem CID71447343
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCC(C)Oc1cccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)c1
InChIInChI=1S/C21H23N5O/c1-14(2)27-18-7-5-6-17(9-18)24-21-10-20-15(11-22-21)8-19(26(20)4)16-12-23-25(3)13-16/h5-14H,1-4H3,(H,22,24)
InChIKeyMFMAIFJXPCAVTI-UHFFFAOYSA-N
XLogP4.50
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine (CID 71447343) is 1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine is CC(C)Oc1cccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)c1.
What is the InChIKey of 1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is MFMAIFJXPCAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14(2)27-18-7-5-6-17(9-18)24-21-10-20-15(11-22-21)8-19(26(20)4)16-12-23-25(3)13-16/h5-14H,1-4H3,(H,22,24).
What are the key properties of 1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine?
1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 361.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxyphenyl)pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 71447343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).