2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol

C26H36ClN7OS — CID 162523206

IUPAC2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2nccc(Sc3ncc(N4CCC5(CC4)CCC4(CC4)[C@H]5N)nc3N)c2Cl)C1
InChIInChI=1S/C26H36ClN7OS/c1-24(2,35)16-14-34(15-16)21-19(27)17(3-10-30-21)36-22-20(28)32-18(13-31-22)33-11-8-26(9-12-33)7-6-25(4-5-25)23(26)29/h3,10,13,16,23,35H,4-9,11-12,14-15,29H2,1-2H3,(H2,28,32)/t23-/m1/s1
InChIKeyKYSVCKREBHUVTK-HSZRJFAPSA-N
MW530.14 g/mol
LogP3.95
Rot. Bonds5

About 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol

2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol (PubChem CID 162523206) has the molecular formula C26H36ClN7OS and a molecular weight of 530.14 g/mol. Its IUPAC name is 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol
PubChem CID162523206
Molecular FormulaC26H36ClN7OS
Molecular Weight530.14 g/mol
Exact Mass529.24
IUPAC Name2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2nccc(Sc3ncc(N4CCC5(CC4)CCC4(CC4)[C@H]5N)nc3N)c2Cl)C1
InChIInChI=1S/C26H36ClN7OS/c1-24(2,35)16-14-34(15-16)21-19(27)17(3-10-30-21)36-22-20(28)32-18(13-31-22)33-11-8-26(9-12-33)7-6-25(4-5-25)23(26)29/h3,10,13,16,23,35H,4-9,11-12,14-15,29H2,1-2H3,(H2,28,32)/t23-/m1/s1
InChIKeyKYSVCKREBHUVTK-HSZRJFAPSA-N
XLogP3.95
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.14
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol 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 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol (CID 162523206) is 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol is CC(C)(O)C1CN(c2nccc(Sc3ncc(N4CCC5(CC4)CCC4(CC4)[C@H]5N)nc3N)c2Cl)C1.
What is the InChIKey of 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol?
The InChIKey is KYSVCKREBHUVTK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H36ClN7OS/c1-24(2,35)16-14-34(15-16)21-19(27)17(3-10-30-21)36-22-20(28)32-18(13-31-22)33-11-8-26(9-12-33)7-6-25(4-5-25)23(26)29/h3,10,13,16,23,35H,4-9,11-12,14-15,29H2,1-2H3,(H2,28,32)/t23-/m1/s1.
What are the key properties of 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol?
2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol has a molecular weight of 530.14 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol is sourced from PubChem (CID 162523206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).