5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide

C23H23N7O — CID 137369737

IUPAC5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)NC(=O)N1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1
InChIInChI=1S/C23H23N7O/c1-14(2)26-23(31)30-12-16-4-3-15(9-18(16)13-30)22-24-8-7-21(28-22)27-19-5-6-20-17(10-19)11-25-29-20/h3-11,14H,12-13H2,1-2H3,(H,25,29)(H,26,31)(H,24,27,28)
InChIKeyCOXGDNAKQWHROQ-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.20
Rot. Bonds4

About 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide

5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide (PubChem CID 137369737) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide
PubChem CID137369737
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)NC(=O)N1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1
InChIInChI=1S/C23H23N7O/c1-14(2)26-23(31)30-12-16-4-3-15(9-18(16)13-30)22-24-8-7-21(28-22)27-19-5-6-20-17(10-19)11-25-29-20/h3-11,14H,12-13H2,1-2H3,(H,25,29)(H,26,31)(H,24,27,28)
InChIKeyCOXGDNAKQWHROQ-UHFFFAOYSA-N
XLogP4.20
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-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 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide (CID 137369737) is 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide is CC(C)NC(=O)N1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1.
What is the InChIKey of 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is COXGDNAKQWHROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-14(2)26-23(31)30-12-16-4-3-15(9-18(16)13-30)22-24-8-7-21(28-22)27-19-5-6-20-17(10-19)11-25-29-20/h3-11,14H,12-13H2,1-2H3,(H,25,29)(H,26,31)(H,24,27,28).
What are the key properties of 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide?
5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-yl-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 137369737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).