N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C23H22N6O2 — CID 118020213

IUPACN-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5[nH]ncc5c4)n1)COCC3)C2
InChIInChI=1S/C23H22N6O2/c1-30-18-4-2-14-11-29(12-16(14)9-18)23-26-21-6-7-31-13-19(21)22(27-23)25-17-3-5-20-15(8-17)10-24-28-20/h2-5,8-10H,6-7,11-13H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyKOAKCJSRFNMMGP-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.70
Rot. Bonds4

About N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 118020213) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID118020213
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5[nH]ncc5c4)n1)COCC3)C2
InChIInChI=1S/C23H22N6O2/c1-30-18-4-2-14-11-29(12-16(14)9-18)23-26-21-6-7-31-13-19(21)22(27-23)25-17-3-5-20-15(8-17)10-24-28-20/h2-5,8-10H,6-7,11-13H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyKOAKCJSRFNMMGP-UHFFFAOYSA-N
XLogP3.70
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine 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-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 118020213) is N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is COc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5[nH]ncc5c4)n1)COCC3)C2.
What is the InChIKey of N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is KOAKCJSRFNMMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-30-18-4-2-14-11-29(12-16(14)9-18)23-26-21-6-7-31-13-19(21)22(27-23)25-17-3-5-20-15(8-17)10-24-28-20/h2-5,8-10H,6-7,11-13H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 414.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118020213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).