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

C23H29N7O3 — CID 67064490

IUPACN-[7-[4-(carbamoylamino)piperidin-1-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(N3CCC(NC(N)=O)CC3)n2n1
InChIInChI=1S/C23H29N7O3/c1-14-12-19-26-18(27-21(31)15-4-6-16(7-5-15)23(2,3)33)13-20(30(19)28-14)29-10-8-17(9-11-29)25-22(24)32/h4-7,12-13,17,33H,8-11H2,1-3H3,(H3,24,25,32)(H,26,27,31)
InChIKeyJETIGXKPROJZQI-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.15
Rot. Bonds5

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

N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 67064490) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
PubChem CID67064490
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-[7-[4-(carbamoylamino)piperidin-1-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(N3CCC(NC(N)=O)CC3)n2n1
InChIInChI=1S/C23H29N7O3/c1-14-12-19-26-18(27-21(31)15-4-6-16(7-5-15)23(2,3)33)13-20(30(19)28-14)29-10-8-17(9-11-29)25-22(24)32/h4-7,12-13,17,33H,8-11H2,1-3H3,(H3,24,25,32)(H,26,27,31)
InChIKeyJETIGXKPROJZQI-UHFFFAOYSA-N
XLogP2.15
TPSA137.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 67064143
N-ethyl-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 66896932
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
N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]cyclopropanecarboxamide
CID 58207056
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-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064055
(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 67064280
N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064650
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-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 51348183

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide (CID 67064490) is N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[7-[4-(carbamoylamino)piperidin-1-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(N3CCC(NC(N)=O)CC3)n2n1.
What is the InChIKey of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is JETIGXKPROJZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-14-12-19-26-18(27-21(31)15-4-6-16(7-5-15)23(2,3)33)13-20(30(19)28-14)29-10-8-17(9-11-29)25-22(24)32/h4-7,12-13,17,33H,8-11H2,1-3H3,(H3,24,25,32)(H,26,27,31).
What are the key properties of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide?
N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 451.53 g/mol, XLogP of 2.15, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 67064490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).