amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol

C20H20ClN7O2 — CID 135215337

IUPACamino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol
SMILESNC(O)N1CCN(c2ncc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H20ClN7O2/c21-13-1-3-14(4-2-13)28-16-11-23-6-5-15(16)25-18(28)17-12-24-20(30-17)27-9-7-26(8-10-27)19(22)29/h1-6,11-12,19,29H,7-10,22H2
InChIKeyDINVFJCTHFIFTM-UHFFFAOYSA-N
MW425.88 g/mol
LogP2.09
Rot. Bonds4

About amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol

amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol (PubChem CID 135215337) has the molecular formula C20H20ClN7O2 and a molecular weight of 425.88 g/mol. Its IUPAC name is amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol.

Molecular Properties

Compound Nameamino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol
PubChem CID135215337
Molecular FormulaC20H20ClN7O2
Molecular Weight425.88 g/mol
Exact Mass425.14
IUPAC Nameamino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol
SMILESNC(O)N1CCN(c2ncc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H20ClN7O2/c21-13-1-3-14(4-2-13)28-16-11-23-6-5-15(16)25-18(28)17-12-24-20(30-17)27-9-7-26(8-10-27)19(22)29/h1-6,11-12,19,29H,7-10,22H2
InChIKeyDINVFJCTHFIFTM-UHFFFAOYSA-N
XLogP2.09
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol?
The IUPAC name of amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol (CID 135215337) is amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol.
What is the SMILES notation for amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol?
The canonical SMILES for amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol is NC(O)N1CCN(c2ncc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol?
The InChIKey is DINVFJCTHFIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O2/c21-13-1-3-14(4-2-13)28-16-11-23-6-5-15(16)25-18(28)17-12-24-20(30-17)27-9-7-26(8-10-27)19(22)29/h1-6,11-12,19,29H,7-10,22H2.
What are the key properties of amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol?
amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol has a molecular weight of 425.88 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,3-oxazol-2-yl]piperazin-1-yl]methanol is sourced from PubChem (CID 135215337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).