1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea

C25H24N6O2 — CID 57395301

IUPAC1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C25H24N6O2/c32-24(31-13-2-1-3-14-31)18-5-4-6-20(15-18)30-25(33)29-19-9-7-17(8-10-19)21-11-12-26-23-22(21)27-16-28-23/h4-12,15-16H,1-3,13-14H2,(H,26,27,28)(H2,29,30,33)
InChIKeyBCHDNCPTPUSOHL-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.89
Rot. Bonds4

About 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea

1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea (PubChem CID 57395301) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea
PubChem CID57395301
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C25H24N6O2/c32-24(31-13-2-1-3-14-31)18-5-4-6-20(15-18)30-25(33)29-19-9-7-17(8-10-19)21-11-12-26-23-22(21)27-16-28-23/h4-12,15-16H,1-3,13-14H2,(H,26,27,28)(H2,29,30,33)
InChIKeyBCHDNCPTPUSOHL-UHFFFAOYSA-N
XLogP4.89
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea (CID 57395301) is 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea is O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea?
The InChIKey is BCHDNCPTPUSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c32-24(31-13-2-1-3-14-31)18-5-4-6-20(15-18)30-25(33)29-19-9-7-17(8-10-19)21-11-12-26-23-22(21)27-16-28-23/h4-12,15-16H,1-3,13-14H2,(H,26,27,28)(H2,29,30,33).
What are the key properties of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea?
1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea has a molecular weight of 440.51 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 57395301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).