[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea

C23H22ClN7O — CID 86267970

IUPAC[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C23H22ClN7O/c24-16-2-4-18(5-3-16)31-20-14-26-10-7-19(20)29-22(31)15-1-6-21(27-13-15)30-11-8-17(9-12-30)28-23(25)32/h1-7,10,13-14,17H,8-9,11-12H2,(H3,25,28,32)
InChIKeyIZQYRJVVDCOJFL-UHFFFAOYSA-N
MW447.93 g/mol
LogP3.77
Rot. Bonds4

About [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea

[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea (PubChem CID 86267970) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea
PubChem CID86267970
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC Name[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C23H22ClN7O/c24-16-2-4-18(5-3-16)31-20-14-26-10-7-19(20)29-22(31)15-1-6-21(27-13-15)30-11-8-17(9-12-30)28-23(25)32/h1-7,10,13-14,17H,8-9,11-12H2,(H3,25,28,32)
InChIKeyIZQYRJVVDCOJFL-UHFFFAOYSA-N
XLogP3.77
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea?
The IUPAC name of [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea (CID 86267970) is [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea.
What is the SMILES notation for [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea?
The canonical SMILES for [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea is NC(=O)NC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea?
The InChIKey is IZQYRJVVDCOJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c24-16-2-4-18(5-3-16)31-20-14-26-10-7-19(20)29-22(31)15-1-6-21(27-13-15)30-11-8-17(9-12-30)28-23(25)32/h1-7,10,13-14,17H,8-9,11-12H2,(H3,25,28,32).
What are the key properties of [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea?
[1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea has a molecular weight of 447.93 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]piperidin-4-yl]urea is sourced from PubChem (CID 86267970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).