N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide

C21H19ClN4O2S — CID 67064650

IUPACN-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(-c3ccc(Cl)s3)n2n1
InChIInChI=1S/C21H19ClN4O2S/c1-12-10-19-23-18(11-15(26(19)25-12)16-8-9-17(22)29-16)24-20(27)13-4-6-14(7-5-13)21(2,3)28/h4-11,28H,1-3H3,(H,23,24,27)
InChIKeyMOBPYRXGYZFLLV-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.90
Rot. Bonds4

About N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide

N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 67064650) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
PubChem CID67064650
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC NameN-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(-c3ccc(Cl)s3)n2n1
InChIInChI=1S/C21H19ClN4O2S/c1-12-10-19-23-18(11-15(26(19)25-12)16-8-9-17(22)29-16)24-20(27)13-4-6-14(7-5-13)21(2,3)28/h4-11,28H,1-3H3,(H,23,24,27)
InChIKeyMOBPYRXGYZFLLV-UHFFFAOYSA-N
XLogP4.90
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 51348183
N-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 66878496
4-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfinic acid
CID 70961380
4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 75628494
N-ethyl-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 66896932
N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064490
N-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064656
4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67082901
5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide
CID 51348474
2-[[2-methyl-2-[4-[(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)carbamoyl]phenyl]propyl]amino]-2-oxoacetic acid
CID 67064797
4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 75628651
4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
CID 67064649

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide (CID 67064650) is N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide is Cc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(-c3ccc(Cl)s3)n2n1.
What is the InChIKey of N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is MOBPYRXGYZFLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-12-10-19-23-18(11-15(26(19)25-12)16-8-9-17(22)29-16)24-20(27)13-4-6-14(7-5-13)21(2,3)28/h4-11,28H,1-3H3,(H,23,24,27).
What are the key properties of N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 426.93 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 67064650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).