N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide

C23H25N7O2 — CID 66806549

IUPACN-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide
SMILESCn1c(C(=O)NCC2CC2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21
InChIInChI=1S/C23H25N7O2/c1-29-18-17(28-20(29)21(31)24-12-14-6-7-14)19(26-13-25-18)30-10-8-23(9-11-30)15-4-2-3-5-16(15)27-22(23)32/h2-5,13-14H,6-12H2,1H3,(H,24,31)(H,27,32)
InChIKeyRJBSUBGJAWAQRW-UHFFFAOYSA-N
MW431.50 g/mol
LogP1.99
Rot. Bonds4

About N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide

N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide (PubChem CID 66806549) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide
PubChem CID66806549
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide
SMILESCn1c(C(=O)NCC2CC2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21
InChIInChI=1S/C23H25N7O2/c1-29-18-17(28-20(29)21(31)24-12-14-6-7-14)19(26-13-25-18)30-10-8-23(9-11-30)15-4-2-3-5-16(15)27-22(23)32/h2-5,13-14H,6-12H2,1H3,(H,24,31)(H,27,32)
InChIKeyRJBSUBGJAWAQRW-UHFFFAOYSA-N
XLogP1.99
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide (CID 66806549) is N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide is Cn1c(C(=O)NCC2CC2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21.
What is the InChIKey of N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide?
The InChIKey is RJBSUBGJAWAQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-29-18-17(28-20(29)21(31)24-12-14-6-7-14)19(26-13-25-18)30-10-8-23(9-11-30)15-4-2-3-5-16(15)27-22(23)32/h2-5,13-14H,6-12H2,1H3,(H,24,31)(H,27,32).
What are the key properties of N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide?
N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide is sourced from PubChem (CID 66806549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).