2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide

C27H22ClN9O3 — CID 169324043

IUPAC2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide
SMILESO=C(Nc1ccc2ccnn2c1)C(Cc1ccccc1)N1CC(=O)N(c2cc(Cl)ccc2-n2cnnn2)CC1=O
InChIInChI=1S/C27H22ClN9O3/c28-19-6-9-22(37-17-29-32-33-37)23(13-19)34-15-26(39)35(16-25(34)38)24(12-18-4-2-1-3-5-18)27(40)31-20-7-8-21-10-11-30-36(21)14-20/h1-11,13-14,17,24H,12,15-16H2,(H,31,40)
InChIKeyRHHNCKCEUNRMSG-UHFFFAOYSA-N
MW555.99 g/mol
LogP2.39
Rot. Bonds7

About 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide

2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide (PubChem CID 169324043) has the molecular formula C27H22ClN9O3 and a molecular weight of 555.99 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide
PubChem CID169324043
Molecular FormulaC27H22ClN9O3
Molecular Weight555.99 g/mol
Exact Mass555.15
IUPAC Name2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide
SMILESO=C(Nc1ccc2ccnn2c1)C(Cc1ccccc1)N1CC(=O)N(c2cc(Cl)ccc2-n2cnnn2)CC1=O
InChIInChI=1S/C27H22ClN9O3/c28-19-6-9-22(37-17-29-32-33-37)23(13-19)34-15-26(39)35(16-25(34)38)24(12-18-4-2-1-3-5-18)27(40)31-20-7-8-21-10-11-30-36(21)14-20/h1-11,13-14,17,24H,12,15-16H2,(H,31,40)
InChIKeyRHHNCKCEUNRMSG-UHFFFAOYSA-N
XLogP2.39
TPSA130.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.99
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-acetylphenyl)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenylpropanamide
CID 169323951
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide
CID 169324067
N-[3-amino-4-(methyliminomethyl)phenyl]-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenylpropanamide
CID 170057215
1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 170057070
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-phenylpropanamide
CID 175282071
CID 174094412
CID 174094412
tert-butyl 3-chloro-5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-phenylpropanoyl]amino]-1H-indole-2-carboxylate
CID 175282124
5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-(4-nitrophenyl)propanoyl]amino]-1-benzofuran-2-carboxylic acid
CID 175377043
N-[4-amino-3-(methyliminomethyl)phenyl]-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-(3-fluorophenyl)propanamide
CID 170057318
2-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,4,2,5-dioxadiazinan-2-yl]-N-[1-(difluoromethyl)indazol-5-yl]-3-phenylpropanamide
CID 162758073
3-chloro-5-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-phenylpropyl]amino]-1H-indole-2-carboxylic acid
CID 175282503
phenyl N-[4-[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxyamino]-3-oxopropyl]phenyl]carbamate
CID 165044140

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide?
The IUPAC name of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide (CID 169324043) is 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide?
The canonical SMILES for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide is O=C(Nc1ccc2ccnn2c1)C(Cc1ccccc1)N1CC(=O)N(c2cc(Cl)ccc2-n2cnnn2)CC1=O.
What is the InChIKey of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide?
The InChIKey is RHHNCKCEUNRMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN9O3/c28-19-6-9-22(37-17-29-32-33-37)23(13-19)34-15-26(39)35(16-25(34)38)24(12-18-4-2-1-3-5-18)27(40)31-20-7-8-21-10-11-30-36(21)14-20/h1-11,13-14,17,24H,12,15-16H2,(H,31,40).
What are the key properties of 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide?
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide has a molecular weight of 555.99 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide is sourced from PubChem (CID 169324043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).