1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one

C52H53F3N8O4 — CID 158625769

IUPAC1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
SMILESCc1nn(CCN2CCCC2)c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc12.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)c(C(F)(F)F)nn2CCN1CCCC1
InChIInChI=1S/C26H25F3N4O2.C26H28N4O2/c27-26(28,29)25-22-16-20(8-9-23(22)33(30-25)15-14-31-11-4-5-12-31)32-13-10-21(17-24(32)34)35-18-19-6-2-1-3-7-19;1-20-24-17-22(9-10-25(24)30(27-20)16-15-28-12-5-6-13-28)29-14-11-23(18-26(29)31)32-19-21-7-3-2-4-8-21/h1-3,6-10,13,16-17H,4-5,11-12,14-15,18H2;2-4,7-11,14,17-18H,5-6,12-13,15-16,19H2,1H3
InChIKeyHYOPYKKLCDXHSO-UHFFFAOYSA-N
MW911.04 g/mol
LogP9.05
Rot. Bonds14

About 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one

1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one (PubChem CID 158625769) has the molecular formula C52H53F3N8O4 and a molecular weight of 911.04 g/mol. Its IUPAC name is 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
PubChem CID158625769
Molecular FormulaC52H53F3N8O4
Molecular Weight911.04 g/mol
Exact Mass910.41
IUPAC Name1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
SMILESCc1nn(CCN2CCCC2)c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc12.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)c(C(F)(F)F)nn2CCN1CCCC1
InChIInChI=1S/C26H25F3N4O2.C26H28N4O2/c27-26(28,29)25-22-16-20(8-9-23(22)33(30-25)15-14-31-11-4-5-12-31)32-13-10-21(17-24(32)34)35-18-19-6-2-1-3-7-19;1-20-24-17-22(9-10-25(24)30(27-20)16-15-28-12-5-6-13-28)29-14-11-23(18-26(29)31)32-19-21-7-3-2-4-8-21/h1-3,6-10,13,16-17H,4-5,11-12,14-15,18H2;2-4,7-11,14,17-18H,5-6,12-13,15-16,19H2,1H3
InChIKeyHYOPYKKLCDXHSO-UHFFFAOYSA-N
XLogP9.05
TPSA104.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.04
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one with MolForge

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Related Compounds

MCH-1 antagonist 1
CID 24857598
4-(benzyloxy)-1-(1-(2-(dimethylamino)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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(S)-4-(benzyloxy)-1-(1-(2-(3-methoxypyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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1-(2,3-dimethyl-2H-indazol-5-yl)-4-[(4-fluorobenzyl)oxy]pyridin-2(1H)-one
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1-(2-cyclopropyl-3-methyl-2H-indazol-5-yl)-4-[(4-fluorobenzyl)oxy]pyridin-2(1H)-one
CID 117816804
1-[1-[2-(4,4-Difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 25054011
1-[1-[2-(3,3-Difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 25054546
(S)-4-(Benzyloxy)-1-(1-(2-(3-fluoropyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25054547
1-[1-[2-(4-Fluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 25054548
4-[(3,5-Difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25054807
4-Phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
CID 25055557
4-[(3,4-Difluorophenyl)methoxy]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25056611

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one (CID 158625769) is 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one is Cc1nn(CCN2CCCC2)c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc12.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)c(C(F)(F)F)nn2CCN1CCCC1.
What is the InChIKey of 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is HYOPYKKLCDXHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2.C26H28N4O2/c27-26(28,29)25-22-16-20(8-9-23(22)33(30-25)15-14-31-11-4-5-12-31)32-13-10-21(17-24(32)34)35-18-19-6-2-1-3-7-19;1-20-24-17-22(9-10-25(24)30(27-20)16-15-28-12-5-6-13-28)29-14-11-23(18-26(29)31)32-19-21-7-3-2-4-8-21/h1-3,6-10,13,16-17H,4-5,11-12,14-15,18H2;2-4,7-11,14,17-18H,5-6,12-13,15-16,19H2,1H3.
What are the key properties of 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one?
1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 911.04 g/mol, XLogP of 9.05, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 158625769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).