4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide

C82H76N18O6 — CID 158972370

IUPAC4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(-c3ccn4ncc(-c5ccc(C#N)cc5)c4n3)cc2)CC1.CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(-c3ccn4ncc(-c5ccc(C#N)cc5)c4n3)cc2)CC1.N#Cc1ccc(-c2cnn3ccc(-c4ccc(C(=O)N5CCC(N)CC5)cc4)nc23)cc1
InChIInChI=1S/C30H30N6O3.C27H24N6O2.C25H22N6O/c1-30(2,3)39-29(38)33-24-12-15-35(16-13-24)28(37)23-10-8-22(9-11-23)26-14-17-36-27(34-26)25(19-32-36)21-6-4-20(18-31)5-7-21;1-18(34)30-23-10-13-32(14-11-23)27(35)22-8-6-21(7-9-22)25-12-15-33-26(31-25)24(17-29-33)20-4-2-19(16-28)3-5-20;26-15-17-1-3-18(4-2-17)22-16-28-31-14-11-23(29-24(22)31)19-5-7-20(8-6-19)25(32)30-12-9-21(27)10-13-30/h4-11,14,17,19,24H,12-13,15-16H2,1-3H3,(H,33,38);2-9,12,15,17,23H,10-11,13-14H2,1H3,(H,30,34);1-8,11,14,16,21H,9-10,12-13,27H2
InChIKeyJNYXPIPGFJIWFZ-UHFFFAOYSA-N
MW1409.63 g/mol
LogP12.24
Rot. Bonds11

About 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide

4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide (PubChem CID 158972370) has the molecular formula C82H76N18O6 and a molecular weight of 1409.63 g/mol. Its IUPAC name is 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide
PubChem CID158972370
Molecular FormulaC82H76N18O6
Molecular Weight1409.63 g/mol
Exact Mass1408.62
IUPAC Name4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(-c3ccn4ncc(-c5ccc(C#N)cc5)c4n3)cc2)CC1.CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(-c3ccn4ncc(-c5ccc(C#N)cc5)c4n3)cc2)CC1.N#Cc1ccc(-c2cnn3ccc(-c4ccc(C(=O)N5CCC(N)CC5)cc4)nc23)cc1
InChIInChI=1S/C30H30N6O3.C27H24N6O2.C25H22N6O/c1-30(2,3)39-29(38)33-24-12-15-35(16-13-24)28(37)23-10-8-22(9-11-23)26-14-17-36-27(34-26)25(19-32-36)21-6-4-20(18-31)5-7-21;1-18(34)30-23-10-13-32(14-11-23)27(35)22-8-6-21(7-9-22)25-12-15-33-26(31-25)24(17-29-33)20-4-2-19(16-28)3-5-20;26-15-17-1-3-18(4-2-17)22-16-28-31-14-11-23(29-24(22)31)19-5-7-20(8-6-19)25(32)30-12-9-21(27)10-13-30/h4-11,14,17,19,24H,12-13,15-16H2,1-3H3,(H,33,38);2-9,12,15,17,23H,10-11,13-14H2,1H3,(H,30,34);1-8,11,14,16,21H,9-10,12-13,27H2
InChIKeyJNYXPIPGFJIWFZ-UHFFFAOYSA-N
XLogP12.24
TPSA316.32 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.63
LogP ≤ 512.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide with MolForge

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Related Compounds

tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate
CID 168586070
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
tert-butyl [1-[4-(6-cyanoimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidin-4-yl] carbonate
CID 67814505
tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate
CID 175980138
N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide
CID 134803759
N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]acetamide
CID 134801644
tert-butyl N-[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 69116044
tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 55736757
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956
tert-butyl N-[(3S)-1-[2-[4-(4-cyanophenyl)phenoxy]ethyl]pyrrolidin-3-yl]carbamate
CID 10136089
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide?
The IUPAC name of 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide (CID 158972370) is 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2ccc(-c3ccn4ncc(-c5ccc(C#N)cc5)c4n3)cc2)CC1.CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(-c3ccn4ncc(-c5ccc(C#N)cc5)c4n3)cc2)CC1.N#Cc1ccc(-c2cnn3ccc(-c4ccc(C(=O)N5CCC(N)CC5)cc4)nc23)cc1.
What is the InChIKey of 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide?
The InChIKey is JNYXPIPGFJIWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O3.C27H24N6O2.C25H22N6O/c1-30(2,3)39-29(38)33-24-12-15-35(16-13-24)28(37)23-10-8-22(9-11-23)26-14-17-36-27(34-26)25(19-32-36)21-6-4-20(18-31)5-7-21;1-18(34)30-23-10-13-32(14-11-23)27(35)22-8-6-21(7-9-22)25-12-15-33-26(31-25)24(17-29-33)20-4-2-19(16-28)3-5-20;26-15-17-1-3-18(4-2-17)22-16-28-31-14-11-23(29-24(22)31)19-5-7-20(8-6-19)25(32)30-12-9-21(27)10-13-30/h4-11,14,17,19,24H,12-13,15-16H2,1-3H3,(H,33,38);2-9,12,15,17,23H,10-11,13-14H2,1H3,(H,30,34);1-8,11,14,16,21H,9-10,12-13,27H2.
What are the key properties of 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide?
4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide has a molecular weight of 1409.63 g/mol, XLogP of 12.24, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 158972370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).