(3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C24H29N7O — CID 154636575

IUPAC(3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C24H29N7O/c1-15-20(17-4-5-19-18(12-17)13-27-29(19)3)22-26-8-11-31(22)23(28-15)30-9-6-24(7-10-30)14-32-16(2)21(24)25/h4-5,8,11-13,16,21H,6-7,9-10,14,25H2,1-3H3/t16-,21+/m0/s1
InChIKeyFAVIDUROORCHEW-HRAATJIYSA-N
MW431.54 g/mol
LogP2.92
Rot. Bonds2

About (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 154636575) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID154636575
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name(3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C24H29N7O/c1-15-20(17-4-5-19-18(12-17)13-27-29(19)3)22-26-8-11-31(22)23(28-15)30-9-6-24(7-10-30)14-32-16(2)21(24)25/h4-5,8,11-13,16,21H,6-7,9-10,14,25H2,1-3H3/t16-,21+/m0/s1
InChIKeyFAVIDUROORCHEW-HRAATJIYSA-N
XLogP2.92
TPSA86.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-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 (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 154636575) is (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1ccc2c(cnn2C)c1.
What is the InChIKey of (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is FAVIDUROORCHEW-HRAATJIYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-15-20(17-4-5-19-18(12-17)13-27-29(19)3)22-26-8-11-31(22)23(28-15)30-9-6-24(7-10-30)14-32-16(2)21(24)25/h4-5,8,11-13,16,21H,6-7,9-10,14,25H2,1-3H3/t16-,21+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 431.54 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-8-[7-methyl-8-(1-methylindazol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 154636575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).