(1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

C18H19N5O — CID 97101742

IUPAC(1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESNc1ccc2c(NC[C@]3(O)CCCc4ccccc43)ncnc2n1
InChIInChI=1S/C18H19N5O/c19-15-8-7-13-16(21-11-22-17(13)23-15)20-10-18(24)9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6-8,11,24H,3,5,9-10H2,(H3,19,20,21,22,23)/t18-/m1/s1
InChIKeyLCJKWQYXNFRFFL-GOSISDBHSA-N
MW321.38 g/mol
LogP2.24
Rot. Bonds3

About (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

(1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 97101742) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID97101742
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESNc1ccc2c(NC[C@]3(O)CCCc4ccccc43)ncnc2n1
InChIInChI=1S/C18H19N5O/c19-15-8-7-13-16(21-11-22-17(13)23-15)20-10-18(24)9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6-8,11,24H,3,5,9-10H2,(H3,19,20,21,22,23)/t18-/m1/s1
InChIKeyLCJKWQYXNFRFFL-GOSISDBHSA-N
XLogP2.24
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 97101742) is (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is Nc1ccc2c(NC[C@]3(O)CCCc4ccccc43)ncnc2n1.
What is the InChIKey of (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is LCJKWQYXNFRFFL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N5O/c19-15-8-7-13-16(21-11-22-17(13)23-15)20-10-18(24)9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6-8,11,24H,3,5,9-10H2,(H3,19,20,21,22,23)/t18-/m1/s1.
What are the key properties of (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
(1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 321.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 97101742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).