N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide

C24H25N7O2 — CID 59394742

IUPACN-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
SMILESCN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C)CC4)[nH]n3)c2)C1
InChIInChI=1S/C24H25N7O2/c1-24(7-8-24)20-12-21(29-28-20)27-23(32)31-10-5-15-11-16(3-4-19(15)31)33-22-17-6-9-30(2)13-18(17)25-14-26-22/h3-5,10-12,14H,6-9,13H2,1-2H3,(H2,27,28,29,32)
InChIKeyXQHZKCXDYBFJGU-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.07
Rot. Bonds4

About N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide

N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide (PubChem CID 59394742) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
PubChem CID59394742
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
SMILESCN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C)CC4)[nH]n3)c2)C1
InChIInChI=1S/C24H25N7O2/c1-24(7-8-24)20-12-21(29-28-20)27-23(32)31-10-5-15-11-16(3-4-19(15)31)33-22-17-6-9-30(2)13-18(17)25-14-26-22/h3-5,10-12,14H,6-9,13H2,1-2H3,(H2,27,28,29,32)
InChIKeyXQHZKCXDYBFJGU-UHFFFAOYSA-N
XLogP4.07
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]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-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
The IUPAC name of N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide (CID 59394742) is N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide.
What is the SMILES notation for N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
The canonical SMILES for N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide is CN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C)CC4)[nH]n3)c2)C1.
What is the InChIKey of N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
The InChIKey is XQHZKCXDYBFJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-24(7-8-24)20-12-21(29-28-20)27-23(32)31-10-5-15-11-16(3-4-19(15)31)33-22-17-6-9-30(2)13-18(17)25-14-26-22/h3-5,10-12,14H,6-9,13H2,1-2H3,(H2,27,28,29,32).
What are the key properties of N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide is sourced from PubChem (CID 59394742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).