1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol

C25H24ClN5O3 — CID 68853786

IUPAC1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCOc1cc2nncc(-c3cnc(N4CCC(O)(c5cccnc5)CC4)c(Cl)c3)c2cc1OC
InChIInChI=1S/C25H24ClN5O3/c1-33-22-11-18-19(15-29-30-21(18)12-23(22)34-2)16-10-20(26)24(28-13-16)31-8-5-25(32,6-9-31)17-4-3-7-27-14-17/h3-4,7,10-15,32H,5-6,8-9H2,1-2H3
InChIKeyOVMSZRUWEZLQRM-UHFFFAOYSA-N
MW477.95 g/mol
LogP4.25
Rot. Bonds5

About 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol

1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 68853786) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID68853786
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC Name1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCOc1cc2nncc(-c3cnc(N4CCC(O)(c5cccnc5)CC4)c(Cl)c3)c2cc1OC
InChIInChI=1S/C25H24ClN5O3/c1-33-22-11-18-19(15-29-30-21(18)12-23(22)34-2)16-10-20(26)24(28-13-16)31-8-5-25(32,6-9-31)17-4-3-7-27-14-17/h3-4,7,10-15,32H,5-6,8-9H2,1-2H3
InChIKeyOVMSZRUWEZLQRM-UHFFFAOYSA-N
XLogP4.25
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol (CID 68853786) is 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol is COc1cc2nncc(-c3cnc(N4CCC(O)(c5cccnc5)CC4)c(Cl)c3)c2cc1OC.
What is the InChIKey of 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is OVMSZRUWEZLQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-33-22-11-18-19(15-29-30-21(18)12-23(22)34-2)16-10-20(26)24(28-13-16)31-8-5-25(32,6-9-31)17-4-3-7-27-14-17/h3-4,7,10-15,32H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 477.95 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-2-pyridinyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 68853786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).