2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile

C20H18N8 — CID 135344550

IUPAC2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCc1ccncc1-c1cc2cc(Nc3cnn(C(C)C#N)c3)ncc2c(N)n1
InChIInChI=1S/C20H18N8/c1-12-3-4-23-9-16(12)18-5-14-6-19(24-10-17(14)20(22)27-18)26-15-8-25-28(11-15)13(2)7-21/h3-6,8-11,13H,1-2H3,(H2,22,27)(H,24,26)
InChIKeyAYJXMUNJBSCUKH-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.61
Rot. Bonds4

About 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile

2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile (PubChem CID 135344550) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
PubChem CID135344550
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCc1ccncc1-c1cc2cc(Nc3cnn(C(C)C#N)c3)ncc2c(N)n1
InChIInChI=1S/C20H18N8/c1-12-3-4-23-9-16(12)18-5-14-6-19(24-10-17(14)20(22)27-18)26-15-8-25-28(11-15)13(2)7-21/h3-6,8-11,13H,1-2H3,(H2,22,27)(H,24,26)
InChIKeyAYJXMUNJBSCUKH-UHFFFAOYSA-N
XLogP3.61
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile (CID 135344550) is 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile is Cc1ccncc1-c1cc2cc(Nc3cnn(C(C)C#N)c3)ncc2c(N)n1.
What is the InChIKey of 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile?
The InChIKey is AYJXMUNJBSCUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8/c1-12-3-4-23-9-16(12)18-5-14-6-19(24-10-17(14)20(22)27-18)26-15-8-25-28(11-15)13(2)7-21/h3-6,8-11,13H,1-2H3,(H2,22,27)(H,24,26).
What are the key properties of 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile?
2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile has a molecular weight of 370.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 135344550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).