4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide

C22H27N5O3 — CID 67064649

IUPAC4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
SMILESCc1cc2cc(NC(=O)c3ccc(C(C)(C)O)cc3)nc(N3CCCOCC3)n2n1
InChIInChI=1S/C22H27N5O3/c1-15-13-18-14-19(23-20(28)16-5-7-17(8-6-16)22(2,3)29)24-21(27(18)25-15)26-9-4-11-30-12-10-26/h5-8,13-14,29H,4,9-12H2,1-3H3,(H,23,28)
InChIKeyHAZXVHOSIMGWKI-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.74
Rot. Bonds4

About 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide

4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide (PubChem CID 67064649) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
PubChem CID67064649
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
SMILESCc1cc2cc(NC(=O)c3ccc(C(C)(C)O)cc3)nc(N3CCCOCC3)n2n1
InChIInChI=1S/C22H27N5O3/c1-15-13-18-14-19(23-20(28)16-5-7-17(8-6-16)22(2,3)29)24-21(27(18)25-15)26-9-4-11-30-12-10-26/h5-8,13-14,29H,4,9-12H2,1-3H3,(H,23,28)
InChIKeyHAZXVHOSIMGWKI-UHFFFAOYSA-N
XLogP2.74
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide 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

4-(2-hydroxypropan-2-yl)-N-[7-[2-(3-methoxyphenyl)ethenyl]-2-methylpyrazolo[1,5-c]pyrimidin-5-yl]benzamide
CID 67064203
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-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064656
4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 143873056
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-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064490
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-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064650
(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 67064280
3-methyl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064544
4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064614
4-(2-hydroxypropan-2-yl)-N-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide
CID 67064532

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide (CID 67064649) is 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide is Cc1cc2cc(NC(=O)c3ccc(C(C)(C)O)cc3)nc(N3CCCOCC3)n2n1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
The InChIKey is HAZXVHOSIMGWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-13-18-14-19(23-20(28)16-5-7-17(8-6-16)22(2,3)29)24-21(27(18)25-15)26-9-4-11-30-12-10-26/h5-8,13-14,29H,4,9-12H2,1-3H3,(H,23,28).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide?
4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-[2-methyl-7-(1,4-oxazepan-4-yl)pyrazolo[1,5-c]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 67064649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).