1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol

C19H20N4O — CID 171556030

IUPAC1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol
SMILESCCC(O)C1C=C(C)C(c2c[nH]c3c(cnc4nccc43)c2)=CN1
InChIInChI=1S/C19H20N4O/c1-3-17(24)16-6-11(2)15(10-21-16)12-7-13-9-23-19-14(4-5-20-19)18(13)22-8-12/h4-10,16-17,21-22,24H,3H2,1-2H3
InChIKeyBROBKTKPLAMWOC-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.14
Rot. Bonds3

About 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol

1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol (PubChem CID 171556030) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol
PubChem CID171556030
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol
SMILESCCC(O)C1C=C(C)C(c2c[nH]c3c(cnc4nccc43)c2)=CN1
InChIInChI=1S/C19H20N4O/c1-3-17(24)16-6-11(2)15(10-21-16)12-7-13-9-23-19-14(4-5-20-19)18(13)22-8-12/h4-10,16-17,21-22,24H,3H2,1-2H3
InChIKeyBROBKTKPLAMWOC-UHFFFAOYSA-N
XLogP3.14
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol?
The IUPAC name of 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol (CID 171556030) is 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol?
The canonical SMILES for 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol is CCC(O)C1C=C(C)C(c2c[nH]c3c(cnc4nccc43)c2)=CN1.
What is the InChIKey of 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol?
The InChIKey is BROBKTKPLAMWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-17(24)16-6-11(2)15(10-21-16)12-7-13-9-23-19-14(4-5-20-19)18(13)22-8-12/h4-10,16-17,21-22,24H,3H2,1-2H3.
What are the key properties of 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol?
1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol has a molecular weight of 320.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol is sourced from PubChem (CID 171556030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).