N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

C17H16N6O — CID 66548649

IUPACN-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1ncccc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1
InChIInChI=1S/C17H16N6O/c1-23-10-12(9-20-23)14-6-11-8-19-16(7-15(11)21-14)22-13-4-3-5-18-17(13)24-2/h3-10,21H,1-2H3,(H,19,22)
InChIKeyBJHILLFPGOQFKO-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.11
Rot. Bonds4

About N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 66548649) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID66548649
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1ncccc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1
InChIInChI=1S/C17H16N6O/c1-23-10-12(9-20-23)14-6-11-8-19-16(7-15(11)21-14)22-13-4-3-5-18-17(13)24-2/h3-10,21H,1-2H3,(H,19,22)
InChIKeyBJHILLFPGOQFKO-UHFFFAOYSA-N
XLogP3.11
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 66548649) is N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine is COc1ncccc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1.
What is the InChIKey of N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is BJHILLFPGOQFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-23-10-12(9-20-23)14-6-11-8-19-16(7-15(11)21-14)22-13-4-3-5-18-17(13)24-2/h3-10,21H,1-2H3,(H,19,22).
What are the key properties of N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 320.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 66548649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).