6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C14H15N7 — CID 142436043

IUPAC6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCNc1cc(Nc2cnn(C)c2C)nc2[nH]cc(C#N)c12
InChIInChI=1S/C14H15N7/c1-8-11(7-18-21(8)3)19-12-4-10(16-2)13-9(5-15)6-17-14(13)20-12/h4,6-7H,1-3H3,(H3,16,17,19,20)
InChIKeyNGVPNUDTOVJOOK-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.26
Rot. Bonds3

About 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 142436043) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID142436043
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCNc1cc(Nc2cnn(C)c2C)nc2[nH]cc(C#N)c12
InChIInChI=1S/C14H15N7/c1-8-11(7-18-21(8)3)19-12-4-10(16-2)13-9(5-15)6-17-14(13)20-12/h4,6-7H,1-3H3,(H3,16,17,19,20)
InChIKeyNGVPNUDTOVJOOK-UHFFFAOYSA-N
XLogP2.26
TPSA94.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 142436043) is 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is CNc1cc(Nc2cnn(C)c2C)nc2[nH]cc(C#N)c12.
What is the InChIKey of 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is NGVPNUDTOVJOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-8-11(7-18-21(8)3)19-12-4-10(16-2)13-9(5-15)6-17-14(13)20-12/h4,6-7H,1-3H3,(H3,16,17,19,20).
What are the key properties of 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,5-dimethylpyrazol-4-yl)amino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 142436043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).