(5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C24H23N9S — CID 155129637

IUPAC(5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3ccnc4[nH]ncc34)c3nccn13)CC2
InChIInChI=1S/C24H23N9S/c25-20-15-2-1-6-26-17(15)12-24(20)4-9-32(10-5-24)23-29-14-19(22-28-8-11-33(22)23)34-18-3-7-27-21-16(18)13-30-31-21/h1-3,6-8,11,13-14,20H,4-5,9-10,12,25H2,(H,27,30,31)/t20-/m1/s1
InChIKeyTTWSEAIUIDZWKM-HXUWFJFHSA-N
MW469.58 g/mol
LogP3.39
Rot. Bonds3

About (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 155129637) has the molecular formula C24H23N9S and a molecular weight of 469.58 g/mol. Its IUPAC name is (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID155129637
Molecular FormulaC24H23N9S
Molecular Weight469.58 g/mol
Exact Mass469.18
IUPAC Name(5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3ccnc4[nH]ncc34)c3nccn13)CC2
InChIInChI=1S/C24H23N9S/c25-20-15-2-1-6-26-17(15)12-24(20)4-9-32(10-5-24)23-29-14-19(22-28-8-11-33(22)23)34-18-3-7-27-21-16(18)13-30-31-21/h1-3,6-8,11,13-14,20H,4-5,9-10,12,25H2,(H,27,30,31)/t20-/m1/s1
InChIKeyTTWSEAIUIDZWKM-HXUWFJFHSA-N
XLogP3.39
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 155129637) is (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3ccnc4[nH]ncc34)c3nccn13)CC2.
What is the InChIKey of (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is TTWSEAIUIDZWKM-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23N9S/c25-20-15-2-1-6-26-17(15)12-24(20)4-9-32(10-5-24)23-29-14-19(22-28-8-11-33(22)23)34-18-3-7-27-21-16(18)13-30-31-21/h1-3,6-8,11,13-14,20H,4-5,9-10,12,25H2,(H,27,30,31)/t20-/m1/s1.
What are the key properties of (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 469.58 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-[8-(1H-pyrazolo[3,4-b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 155129637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).