1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole

C15H10N4 — CID 175790323

IUPAC1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(-c3cncnc3)nccc12
InChIInChI=1S/C15H10N4/c1-2-4-13-11(3-1)12-5-6-18-14(15(12)19-13)10-7-16-9-17-8-10/h1-9,19H
InChIKeyXRXTUVPZJCDQBD-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.17
Rot. Bonds1

About 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole

1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole (PubChem CID 175790323) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
PubChem CID175790323
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(-c3cncnc3)nccc12
InChIInChI=1S/C15H10N4/c1-2-4-13-11(3-1)12-5-6-18-14(15(12)19-13)10-7-16-9-17-8-10/h1-9,19H
InChIKeyXRXTUVPZJCDQBD-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
CID 91398719
3-(9H-pyrido[3,4-b]indol-1-yl)phenol
CID 46244084
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 71740737
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
CID 70800060
4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257090
1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
CID 132601824
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
CID 150354253
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
ethyl N-[3-(9H-pyrido[3,4-b]indol-1-yl)phenyl]carbamate
CID 71415674
bis(1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole);propan-2-one
CID 139046282

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole (CID 175790323) is 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole is c1ccc2c(c1)[nH]c1c(-c3cncnc3)nccc12.
What is the InChIKey of 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole?
The InChIKey is XRXTUVPZJCDQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c1-2-4-13-11(3-1)12-5-6-18-14(15(12)19-13)10-7-16-9-17-8-10/h1-9,19H.
What are the key properties of 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole?
1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole has a molecular weight of 246.27 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 175790323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).