N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

C23H24N6O2 — CID 129045344

IUPACN-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESCC1=CN(C)CC(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)=C1
InChIInChI=1S/C23H24N6O2/c1-15-9-17(13-28(2)12-15)27-23(30)29-8-6-16-10-18(3-4-21(16)29)31-22-19-5-7-24-11-20(19)25-14-26-22/h3-4,6,8-10,12,14,24H,5,7,11,13H2,1-2H3,(H,27,30)
InChIKeyBASWYDGHDPZTCK-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.16
Rot. Bonds3

About N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (PubChem CID 129045344) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
PubChem CID129045344
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESCC1=CN(C)CC(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)=C1
InChIInChI=1S/C23H24N6O2/c1-15-9-17(13-28(2)12-15)27-23(30)29-8-6-16-10-18(3-4-21(16)29)31-22-19-5-7-24-11-20(19)25-14-26-22/h3-4,6,8-10,12,14,24H,5,7,11,13H2,1-2H3,(H,27,30)
InChIKeyBASWYDGHDPZTCK-UHFFFAOYSA-N
XLogP3.16
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The IUPAC name of N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (CID 129045344) is N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is CC1=CN(C)CC(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)=C1.
What is the InChIKey of N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The InChIKey is BASWYDGHDPZTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-9-17(13-28(2)12-15)27-23(30)29-8-6-16-10-18(3-4-21(16)29)31-22-19-5-7-24-11-20(19)25-14-26-22/h3-4,6,8-10,12,14,24H,5,7,11,13H2,1-2H3,(H,27,30).
What are the key properties of N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-2H-pyridin-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is sourced from PubChem (CID 129045344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).