2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol

C20H21N7O — CID 123940357

IUPAC2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol
SMILESCc1cnc2ccc(CNc3nc(-c4cnn(CCO)c4)ccc3N)nc2c1
InChIInChI=1S/C20H21N7O/c1-13-8-19-18(22-9-13)4-2-15(25-19)11-23-20-16(21)3-5-17(26-20)14-10-24-27(12-14)6-7-28/h2-5,8-10,12,28H,6-7,11,21H2,1H3,(H,23,26)
InChIKeyVIAYXPPFRMLDHE-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.38
Rot. Bonds6

About 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol

2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol (PubChem CID 123940357) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol
PubChem CID123940357
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol
SMILESCc1cnc2ccc(CNc3nc(-c4cnn(CCO)c4)ccc3N)nc2c1
InChIInChI=1S/C20H21N7O/c1-13-8-19-18(22-9-13)4-2-15(25-19)11-23-20-16(21)3-5-17(26-20)14-10-24-27(12-14)6-7-28/h2-5,8-10,12,28H,6-7,11,21H2,1H3,(H,23,26)
InChIKeyVIAYXPPFRMLDHE-UHFFFAOYSA-N
XLogP2.38
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol (CID 123940357) is 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol is Cc1cnc2ccc(CNc3nc(-c4cnn(CCO)c4)ccc3N)nc2c1.
What is the InChIKey of 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol?
The InChIKey is VIAYXPPFRMLDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-8-19-18(22-9-13)4-2-15(25-19)11-23-20-16(21)3-5-17(26-20)14-10-24-27(12-14)6-7-28/h2-5,8-10,12,28H,6-7,11,21H2,1H3,(H,23,26).
What are the key properties of 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol?
2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol has a molecular weight of 375.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[(7-methyl-1,5-naphthyridin-2-yl)methylamino]-2-pyridinyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 123940357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).