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

C19H19N7O — CID 135344500

IUPAC2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn(CCO)c3)ncc2c(N)n1
InChIInChI=1S/C19H19N7O/c1-12-2-3-21-9-15(12)17-6-13-7-18(22-10-16(13)19(20)25-17)24-14-8-23-26(11-14)4-5-27/h2-3,6-11,27H,4-5H2,1H3,(H2,20,25)(H,22,24)
InChIKeyDWVFUTMGPAORLB-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.51
Rot. Bonds5

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

2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol (PubChem CID 135344500) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol
PubChem CID135344500
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn(CCO)c3)ncc2c(N)n1
InChIInChI=1S/C19H19N7O/c1-12-2-3-21-9-15(12)17-6-13-7-18(22-10-16(13)19(20)25-17)24-14-8-23-26(11-14)4-5-27/h2-3,6-11,27H,4-5H2,1H3,(H2,20,25)(H,22,24)
InChIKeyDWVFUTMGPAORLB-UHFFFAOYSA-N
XLogP2.51
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.51
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]ethanol?
The IUPAC name of 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol (CID 135344500) is 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol is Cc1ccncc1-c1cc2cc(Nc3cnn(CCO)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]ethanol?
The InChIKey is DWVFUTMGPAORLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12-2-3-21-9-15(12)17-6-13-7-18(22-10-16(13)19(20)25-17)24-14-8-23-26(11-14)4-5-27/h2-3,6-11,27H,4-5H2,1H3,(H2,20,25)(H,22,24).
What are the key properties of 2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol?
2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol has a molecular weight of 361.41 g/mol, XLogP of 2.51, 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]ethanol is sourced from PubChem (CID 135344500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).