5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide

C18H16ClN7O2 — CID 140500884

IUPAC5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
SMILESCCC(NC(=O)c1cc2nc(-c3ccco3)nn2c(N)n1)c1cccnc1Cl
InChIInChI=1S/C18H16ClN7O2/c1-2-11(10-5-3-7-21-15(10)19)22-17(27)12-9-14-24-16(13-6-4-8-28-13)25-26(14)18(20)23-12/h3-9,11H,2H2,1H3,(H2,20,23)(H,22,27)
InChIKeyXPOSGSIKDSJKLJ-UHFFFAOYSA-N
MW397.83 g/mol
LogP2.90
Rot. Bonds5

About 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide

5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide (PubChem CID 140500884) has the molecular formula C18H16ClN7O2 and a molecular weight of 397.83 g/mol. Its IUPAC name is 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
PubChem CID140500884
Molecular FormulaC18H16ClN7O2
Molecular Weight397.83 g/mol
Exact Mass397.11
IUPAC Name5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
SMILESCCC(NC(=O)c1cc2nc(-c3ccco3)nn2c(N)n1)c1cccnc1Cl
InChIInChI=1S/C18H16ClN7O2/c1-2-11(10-5-3-7-21-15(10)19)22-17(27)12-9-14-24-16(13-6-4-8-28-13)25-26(14)18(20)23-12/h3-9,11H,2H2,1H3,(H2,20,23)(H,22,27)
InChIKeyXPOSGSIKDSJKLJ-UHFFFAOYSA-N
XLogP2.90
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
CID 140500870
5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
CID 91186891
5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
CID 91261332
acetic acid;7-(furan-2-yl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170704
N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 95058555
2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzaldehyde
CID 86603876
2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(2-ethoxyphenyl)methyl]-2-phenylacetamide
CID 166178117
N-ethyl-2-(furan-2-yl)-N-methyl-5-(methylamino)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 142146607
N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148167
4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide
CID 83567628
2-[4-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]piperazin-1-yl]-2-methylpropan-1-ol
CID 12052555
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 23570263

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
The IUPAC name of 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide (CID 140500884) is 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
The canonical SMILES for 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide is CCC(NC(=O)c1cc2nc(-c3ccco3)nn2c(N)n1)c1cccnc1Cl.
What is the InChIKey of 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
The InChIKey is XPOSGSIKDSJKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O2/c1-2-11(10-5-3-7-21-15(10)19)22-17(27)12-9-14-24-16(13-6-4-8-28-13)25-26(14)18(20)23-12/h3-9,11H,2H2,1H3,(H2,20,23)(H,22,27).
What are the key properties of 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide has a molecular weight of 397.83 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-chloro-3-pyridinyl)propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 140500884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).