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

C21H23N7O — CID 135345050

IUPAC2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn(C(C)(C)CO)c3)ncc2c(N)n1
InChIInChI=1S/C21H23N7O/c1-13-4-5-23-9-16(13)18-6-14-7-19(24-10-17(14)20(22)27-18)26-15-8-25-28(11-15)21(2,3)12-29/h4-11,29H,12H2,1-3H3,(H2,22,27)(H,24,26)
InChIKeySMHBVESVRMYLNL-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.25
Rot. Bonds5

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

2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 135345050) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID135345050
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn(C(C)(C)CO)c3)ncc2c(N)n1
InChIInChI=1S/C21H23N7O/c1-13-4-5-23-9-16(13)18-6-14-7-19(24-10-17(14)20(22)27-18)26-15-8-25-28(11-15)21(2,3)12-29/h4-11,29H,12H2,1-3H3,(H2,22,27)(H,24,26)
InChIKeySMHBVESVRMYLNL-UHFFFAOYSA-N
XLogP3.25
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.25
H-Bond Donors ≤ 53
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]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol (CID 135345050) is 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol is Cc1ccncc1-c1cc2cc(Nc3cnn(C(C)(C)CO)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]-2-methylpropan-1-ol?
The InChIKey is SMHBVESVRMYLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-4-5-23-9-16(13)18-6-14-7-19(24-10-17(14)20(22)27-18)26-15-8-25-28(11-15)21(2,3)12-29/h4-11,29H,12H2,1-3H3,(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]-2-methylpropan-1-ol?
2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 389.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 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]-2-methylpropan-1-ol is sourced from PubChem (CID 135345050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).