6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine

C17H17N7 — CID 139321537

IUPAC6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine
SMILESCn1cc(-c2ccc(N)c(NCc3cc4cccnc4[nH]3)n2)cn1
InChIInChI=1S/C17H17N7/c1-24-10-12(8-21-24)15-5-4-14(18)17(23-15)20-9-13-7-11-3-2-6-19-16(11)22-13/h2-8,10H,9,18H2,1H3,(H,19,22)(H,20,23)
InChIKeyNSDAMCSTHORMGJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.55
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine

6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine (PubChem CID 139321537) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine
PubChem CID139321537
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine
SMILESCn1cc(-c2ccc(N)c(NCc3cc4cccnc4[nH]3)n2)cn1
InChIInChI=1S/C17H17N7/c1-24-10-12(8-21-24)15-5-4-14(18)17(23-15)20-9-13-7-11-3-2-6-19-16(11)22-13/h2-8,10H,9,18H2,1H3,(H,19,22)(H,20,23)
InChIKeyNSDAMCSTHORMGJ-UHFFFAOYSA-N
XLogP2.55
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine (CID 139321537) is 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine is Cn1cc(-c2ccc(N)c(NCc3cc4cccnc4[nH]3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine?
The InChIKey is NSDAMCSTHORMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-24-10-12(8-21-24)15-5-4-14(18)17(23-15)20-9-13-7-11-3-2-6-19-16(11)22-13/h2-8,10H,9,18H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine?
6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine has a molecular weight of 319.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-2-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 139321537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).