(1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol

C20H21N7O — CID 139468708

IUPAC(1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol
SMILESCc1ccncc1-c1cc2cc(Nc3cc([C@@H](C)O)n(C)n3)ncc2c(N)n1
InChIInChI=1S/C20H21N7O/c1-11-4-5-22-9-14(11)16-6-13-7-18(23-10-15(13)20(21)24-16)25-19-8-17(12(2)28)27(3)26-19/h4-10,12,28H,1-3H3,(H2,21,24)(H,23,25,26)/t12-/m1/s1
InChIKeyNZWRFUHVBUOQMS-GFCCVEGCSA-N
MW375.44 g/mol
LogP3.11
Rot. Bonds4

About (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol

(1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol (PubChem CID 139468708) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol
PubChem CID139468708
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol
SMILESCc1ccncc1-c1cc2cc(Nc3cc([C@@H](C)O)n(C)n3)ncc2c(N)n1
InChIInChI=1S/C20H21N7O/c1-11-4-5-22-9-14(11)16-6-13-7-18(23-10-15(13)20(21)24-16)25-19-8-17(12(2)28)27(3)26-19/h4-10,12,28H,1-3H3,(H2,21,24)(H,23,25,26)/t12-/m1/s1
InChIKeyNZWRFUHVBUOQMS-GFCCVEGCSA-N
XLogP3.11
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol (CID 139468708) is (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol is Cc1ccncc1-c1cc2cc(Nc3cc([C@@H](C)O)n(C)n3)ncc2c(N)n1.
What is the InChIKey of (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol?
The InChIKey is NZWRFUHVBUOQMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21N7O/c1-11-4-5-22-9-14(11)16-6-13-7-18(23-10-15(13)20(21)24-16)25-19-8-17(12(2)28)27(3)26-19/h4-10,12,28H,1-3H3,(H2,21,24)(H,23,25,26)/t12-/m1/s1.
What are the key properties of (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol?
(1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol has a molecular weight of 375.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol is sourced from PubChem (CID 139468708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).