2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole

C28H32FN5O — CID 134329571

IUPAC2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCOc1ncc(CN2CCC(c3ccc4[nH]c(-c5ccnc(C)c5F)c(C(C)C)c4c3)CC2)cn1
InChIInChI=1S/C28H32FN5O/c1-17(2)25-23-13-21(5-6-24(23)33-27(25)22-7-10-30-18(3)26(22)29)20-8-11-34(12-9-20)16-19-14-31-28(35-4)32-15-19/h5-7,10,13-15,17,20,33H,8-9,11-12,16H2,1-4H3
InChIKeyUBMFESXPMRXIMV-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.98
Rot. Bonds6

About 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole

2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole (PubChem CID 134329571) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
PubChem CID134329571
Molecular FormulaC28H32FN5O
Molecular Weight473.60 g/mol
Exact Mass473.26
IUPAC Name2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
SMILESCOc1ncc(CN2CCC(c3ccc4[nH]c(-c5ccnc(C)c5F)c(C(C)C)c4c3)CC2)cn1
InChIInChI=1S/C28H32FN5O/c1-17(2)25-23-13-21(5-6-24(23)33-27(25)22-7-10-30-18(3)26(22)29)20-8-11-34(12-9-20)16-19-14-31-28(35-4)32-15-19/h5-7,10,13-15,17,20,33H,8-9,11-12,16H2,1-4H3
InChIKeyUBMFESXPMRXIMV-UHFFFAOYSA-N
XLogP5.98
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329401
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole
CID 134330006
6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine
CID 142594046
3-propan-2-yl-2-(1H-pyrazol-4-yl)-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]-1H-indole
CID 175036602
2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 142594342
2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134329447
2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330189
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329764
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329543
3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142593745

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole (CID 134329571) is 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole is COc1ncc(CN2CCC(c3ccc4[nH]c(-c5ccnc(C)c5F)c(C(C)C)c4c3)CC2)cn1.
What is the InChIKey of 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
The InChIKey is UBMFESXPMRXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c1-17(2)25-23-13-21(5-6-24(23)33-27(25)22-7-10-30-18(3)26(22)29)20-8-11-34(12-9-20)16-19-14-31-28(35-4)32-15-19/h5-7,10,13-15,17,20,33H,8-9,11-12,16H2,1-4H3.
What are the key properties of 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole?
2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole has a molecular weight of 473.60 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).