3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine

C32H30N6O — CID 145245475

IUPAC3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine
SMILESc1ccc(COc2cncc(-c3cnc4c(c3)C(c3cc5c(N6CCCCC6)cccc5[nH]3)=NNC4)c2)cc1
InChIInChI=1S/C32H30N6O/c1-3-8-22(9-4-1)21-39-25-14-23(17-33-19-25)24-15-27-30(34-18-24)20-35-37-32(27)29-16-26-28(36-29)10-7-11-31(26)38-12-5-2-6-13-38/h1,3-4,7-11,14-19,35-36H,2,5-6,12-13,20-21H2
InChIKeyCZIZSBSMOMWNRC-UHFFFAOYSA-N
MW514.63 g/mol
LogP6.05
Rot. Bonds6

About 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine

3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine (PubChem CID 145245475) has the molecular formula C32H30N6O and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine
PubChem CID145245475
Molecular FormulaC32H30N6O
Molecular Weight514.63 g/mol
Exact Mass514.25
IUPAC Name3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine
SMILESc1ccc(COc2cncc(-c3cnc4c(c3)C(c3cc5c(N6CCCCC6)cccc5[nH]3)=NNC4)c2)cc1
InChIInChI=1S/C32H30N6O/c1-3-8-22(9-4-1)21-39-25-14-23(17-33-19-25)24-15-27-30(34-18-24)20-35-37-32(27)29-16-26-28(36-29)10-7-11-31(26)38-12-5-2-6-13-38/h1,3-4,7-11,14-19,35-36H,2,5-6,12-13,20-21H2
InChIKeyCZIZSBSMOMWNRC-UHFFFAOYSA-N
XLogP6.05
TPSA78.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole
CID 137113693
N,N-dimethyl-2-[[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310744
1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1a,7b-dihydro-1H-azirino[2,3-h][1,6]naphthyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 145248421
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280863
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280752
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115804
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 137109793
N-but-1-en-2-yl-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137087767
3-methyl-N-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137041700
5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137115913
N-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137041256
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137280458

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine?
The IUPAC name of 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine (CID 145245475) is 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine.
What is the SMILES notation for 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine?
The canonical SMILES for 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine is c1ccc(COc2cncc(-c3cnc4c(c3)C(c3cc5c(N6CCCCC6)cccc5[nH]3)=NNC4)c2)cc1.
What is the InChIKey of 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine?
The InChIKey is CZIZSBSMOMWNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O/c1-3-8-22(9-4-1)21-39-25-14-23(17-33-19-25)24-15-27-30(34-18-24)20-35-37-32(27)29-16-26-28(36-29)10-7-11-31(26)38-12-5-2-6-13-38/h1,3-4,7-11,14-19,35-36H,2,5-6,12-13,20-21H2.
What are the key properties of 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine?
3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine has a molecular weight of 514.63 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine is sourced from PubChem (CID 145245475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).