5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine

C18H15ClN6O2S2 — CID 58169348

IUPAC5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)n1cccc1
InChIInChI=1S/C18H15ClN6O2S2/c19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-3-4-11)14-5-6-16(28-14)29(26,27)25-7-1-2-8-25/h1-2,5-11H,3-4H2,(H2,20,21,22,23,24)
InChIKeyRRZJQCDNNFOXSQ-UHFFFAOYSA-N
MW446.95 g/mol
LogP4.24
Rot. Bonds6

About 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 58169348) has the molecular formula C18H15ClN6O2S2 and a molecular weight of 446.95 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine
PubChem CID58169348
Molecular FormulaC18H15ClN6O2S2
Molecular Weight446.95 g/mol
Exact Mass446.04
IUPAC Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)n1cccc1
InChIInChI=1S/C18H15ClN6O2S2/c19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-3-4-11)14-5-6-16(28-14)29(26,27)25-7-1-2-8-25/h1-2,5-11H,3-4H2,(H2,20,21,22,23,24)
InChIKeyRRZJQCDNNFOXSQ-UHFFFAOYSA-N
XLogP4.24
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-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

Related Compounds

CID 50898364
CID 50898364
CID 50943452
CID 50943452
CID 50943292
CID 50943292
CID 50943377
CID 50943377
CID 50943864
CID 50943864
CID 58169162
CID 58169162
CID 134815860
CID 134815860
CID 68375232
CID 68375232
CID 50943451
CID 50943451
CID 50944028
CID 50944028
CID 58169151
CID 58169151
CID 58169234
CID 58169234

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine (CID 58169348) is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine is O=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)n1cccc1.
What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is RRZJQCDNNFOXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2S2/c19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-3-4-11)14-5-6-16(28-14)29(26,27)25-7-1-2-8-25/h1-2,5-11H,3-4H2,(H2,20,21,22,23,24).
What are the key properties of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine?
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 446.95 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrol-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 58169348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).