4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide

C26H26N4O3 — CID 67064203

IUPAC4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide
SMILESCOc1cccc(C=Cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc3cc(C)nn23)c1
InChIInChI=1S/C26H26N4O3/c1-17-14-21-16-23(28-25(31)19-9-11-20(12-10-19)26(2,3)32)27-24(30(21)29-17)13-8-18-6-5-7-22(15-18)33-4/h5-16,32H,1-4H3,(H,28,31)
InChIKeyZLANRYCOPNZQFY-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.70
Rot. Bonds6

About 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide

4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide (PubChem CID 67064203) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide
PubChem CID67064203
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide
SMILESCOc1cccc(C=Cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc3cc(C)nn23)c1
InChIInChI=1S/C26H26N4O3/c1-17-14-21-16-23(28-25(31)19-9-11-20(12-10-19)26(2,3)32)27-24(30(21)29-17)13-8-18-6-5-7-22(15-18)33-4/h5-16,32H,1-4H3,(H,28,31)
InChIKeyZLANRYCOPNZQFY-UHFFFAOYSA-N
XLogP4.70
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
CID 67064649
4-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfinic acid
CID 70961380
N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064650
tert-butyl 2-[(4-fluorobenzoyl)amino]-4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 67342390
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
N-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064656
N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064490
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 66810040
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 51348183
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
N-ethyl-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 66896932

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide (CID 67064203) is 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide is COc1cccc(C=Cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc3cc(C)nn23)c1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
The InChIKey is ZLANRYCOPNZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-17-14-21-16-23(28-25(31)19-9-11-20(12-10-19)26(2,3)32)27-24(30(21)29-17)13-8-18-6-5-7-22(15-18)33-4/h5-16,32H,1-4H3,(H,28,31).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 67064203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).