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

C21H23N7O — CID 135344363

IUPAC1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn(CC(C)(C)O)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)12-21(2,3)29/h4-11,29H,12H2,1-3H3,(H2,22,27)(H,24,26)
InChIKeyLKLPDFZHTMLFTI-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.29
Rot. Bonds5

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

1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 135344363) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID135344363
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn(CC(C)(C)O)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)12-21(2,3)29/h4-11,29H,12H2,1-3H3,(H2,22,27)(H,24,26)
InChIKeyLKLPDFZHTMLFTI-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol (CID 135344363) is 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol is Cc1ccncc1-c1cc2cc(Nc3cnn(CC(C)(C)O)c3)ncc2c(N)n1.
What is the InChIKey of 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is LKLPDFZHTMLFTI-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)12-21(2,3)29/h4-11,29H,12H2,1-3H3,(H2,22,27)(H,24,26).
What are the key properties of 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 389.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 135344363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).