(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone

C17H18ClN5OS — CID 71748085

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
SMILESCC(C)c1nc2c(s1)CCN(C(=O)c1cc3ncc(Cl)cn3n1)CC2
InChIInChI=1S/C17H18ClN5OS/c1-10(2)16-20-12-3-5-22(6-4-14(12)25-16)17(24)13-7-15-19-8-11(18)9-23(15)21-13/h7-10H,3-6H2,1-2H3
InChIKeySLJUBBDNWOFUGZ-UHFFFAOYSA-N
MW375.89 g/mol
LogP3.20
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone (PubChem CID 71748085) has the molecular formula C17H18ClN5OS and a molecular weight of 375.89 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
PubChem CID71748085
Molecular FormulaC17H18ClN5OS
Molecular Weight375.89 g/mol
Exact Mass375.09
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
SMILESCC(C)c1nc2c(s1)CCN(C(=O)c1cc3ncc(Cl)cn3n1)CC2
InChIInChI=1S/C17H18ClN5OS/c1-10(2)16-20-12-3-5-22(6-4-14(12)25-16)17(24)13-7-15-19-8-11(18)9-23(15)21-13/h7-10H,3-6H2,1-2H3
InChIKeySLJUBBDNWOFUGZ-UHFFFAOYSA-N
XLogP3.20
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone with MolForge

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Related Compounds

(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71739469
(6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748062
(6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748065
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 71748080
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748045
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-isopropyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748064
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(methoxymethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]methanone
CID 71748060
(6-Methylpyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 71748061
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 125523796
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 132415420
[5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 89830261
2,4,5,7,8,8a-Hexahydro-[1,3]thiazolo[4,5-d]azepin-6-yl-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 123806095

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone (CID 71748085) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone is CC(C)c1nc2c(s1)CCN(C(=O)c1cc3ncc(Cl)cn3n1)CC2.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone?
The InChIKey is SLJUBBDNWOFUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5OS/c1-10(2)16-20-12-3-5-22(6-4-14(12)25-16)17(24)13-7-15-19-8-11(18)9-23(15)21-13/h7-10H,3-6H2,1-2H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone has a molecular weight of 375.89 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone is sourced from PubChem (CID 71748085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).