1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea

C21H24Cl2N6O — CID 69238362

IUPAC1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea
SMILESNC(=O)N(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnn2ccccc12
InChIInChI=1S/C21H24Cl2N6O/c22-16-5-3-7-18(20(16)23)27-13-11-26(12-14-27)8-4-9-28(21(24)30)19-15-25-29-10-2-1-6-17(19)29/h1-3,5-7,10,15H,4,8-9,11-14H2,(H2,24,30)
InChIKeyMLPPRAURKKEEQR-UHFFFAOYSA-N
MW447.37 g/mol
LogP3.74
Rot. Bonds6

About 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea

1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea (PubChem CID 69238362) has the molecular formula C21H24Cl2N6O and a molecular weight of 447.37 g/mol. Its IUPAC name is 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea
PubChem CID69238362
Molecular FormulaC21H24Cl2N6O
Molecular Weight447.37 g/mol
Exact Mass446.14
IUPAC Name1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea
SMILESNC(=O)N(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnn2ccccc12
InChIInChI=1S/C21H24Cl2N6O/c22-16-5-3-7-18(20(16)23)27-13-11-26(12-14-27)8-4-9-28(21(24)30)19-15-25-29-10-2-1-6-17(19)29/h1-3,5-7,10,15H,4,8-9,11-14H2,(H2,24,30)
InChIKeyMLPPRAURKKEEQR-UHFFFAOYSA-N
XLogP3.74
TPSA70.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea?
The IUPAC name of 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea (CID 69238362) is 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea.
What is the SMILES notation for 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea?
The canonical SMILES for 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea is NC(=O)N(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnn2ccccc12.
What is the InChIKey of 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea?
The InChIKey is MLPPRAURKKEEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N6O/c22-16-5-3-7-18(20(16)23)27-13-11-26(12-14-27)8-4-9-28(21(24)30)19-15-25-29-10-2-1-6-17(19)29/h1-3,5-7,10,15H,4,8-9,11-14H2,(H2,24,30).
What are the key properties of 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea?
1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea has a molecular weight of 447.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea is sourced from PubChem (CID 69238362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).