(5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine

C21H20ClN7S — CID 175728623

IUPAC(5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine
SMILESNc1nccc(Sc2cnc(N3CC[C@H](N)c4ccccc4C3)n3ccnc23)c1Cl
InChIInChI=1S/C21H20ClN7S/c22-18-16(5-7-25-19(18)24)30-17-11-27-21(29-10-8-26-20(17)29)28-9-6-15(23)14-4-2-1-3-13(14)12-28/h1-5,7-8,10-11,15H,6,9,12,23H2,(H2,24,25)/t15-/m0/s1
InChIKeyZKRRRJSABMFMGX-HNNXBMFYSA-N
MW437.96 g/mol
LogP3.92
Rot. Bonds3

About (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine

(5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine (PubChem CID 175728623) has the molecular formula C21H20ClN7S and a molecular weight of 437.96 g/mol. Its IUPAC name is (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine.

Molecular Properties

Compound Name(5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine
PubChem CID175728623
Molecular FormulaC21H20ClN7S
Molecular Weight437.96 g/mol
Exact Mass437.12
IUPAC Name(5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine
SMILESNc1nccc(Sc2cnc(N3CC[C@H](N)c4ccccc4C3)n3ccnc23)c1Cl
InChIInChI=1S/C21H20ClN7S/c22-18-16(5-7-25-19(18)24)30-17-11-27-21(29-10-8-26-20(17)29)28-9-6-15(23)14-4-2-1-3-13(14)12-28/h1-5,7-8,10-11,15H,6,9,12,23H2,(H2,24,25)/t15-/m0/s1
InChIKeyZKRRRJSABMFMGX-HNNXBMFYSA-N
XLogP3.92
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.96
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 146482706
1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol
CID 155448000
3-chloro-4-[5-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
CID 170184863
3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
CID 139427326
3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 155129621
[(2S)-1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;sulfane
CID 158816989
(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
CID 155591726
CID 174094860
CID 174094860
(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-deuteriospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169008435
3-[(3S)-3-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynamide
CID 171454612
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
9-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-5-amine
CID 171782764

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine?
The IUPAC name of (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine (CID 175728623) is (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine.
What is the SMILES notation for (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine?
The canonical SMILES for (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine is Nc1nccc(Sc2cnc(N3CC[C@H](N)c4ccccc4C3)n3ccnc23)c1Cl.
What is the InChIKey of (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine?
The InChIKey is ZKRRRJSABMFMGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20ClN7S/c22-18-16(5-7-25-19(18)24)30-17-11-27-21(29-10-8-26-20(17)29)28-9-6-15(23)14-4-2-1-3-13(14)12-28/h1-5,7-8,10-11,15H,6,9,12,23H2,(H2,24,25)/t15-/m0/s1.
What are the key properties of (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine?
(5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine has a molecular weight of 437.96 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine is sourced from PubChem (CID 175728623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).