5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C19H16ClN5O — CID 11485368

IUPAC5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCc2c([nH]c3cccc(Cl)c23)C1
InChIInChI=1S/C19H16ClN5O/c20-13-5-3-7-15-17(13)11-8-9-25(10-16(11)21-15)19(26)22-18-12-4-1-2-6-14(12)23-24-18/h1-7,21H,8-10H2,(H2,22,23,24,26)
InChIKeyYNHVBAAITOKHCP-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.29
Rot. Bonds1

About 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 11485368) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID11485368
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCc2c([nH]c3cccc(Cl)c23)C1
InChIInChI=1S/C19H16ClN5O/c20-13-5-3-7-15-17(13)11-8-9-25(10-16(11)21-15)19(26)22-18-12-4-1-2-6-14(12)23-24-18/h1-7,21H,8-10H2,(H2,22,23,24,26)
InChIKeyYNHVBAAITOKHCP-UHFFFAOYSA-N
XLogP4.29
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 11485368) is 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCc2c([nH]c3cccc(Cl)c23)C1.
What is the InChIKey of 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is YNHVBAAITOKHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-13-5-3-7-15-17(13)11-8-9-25(10-16(11)21-15)19(26)22-18-12-4-1-2-6-14(12)23-24-18/h1-7,21H,8-10H2,(H2,22,23,24,26).
What are the key properties of 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 4.29, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 11485368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).