5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid

C26H29N5O3 — CID 155265647

IUPAC5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(c3nc(C4(CN[C@H]5C[C@@H]5c5ccccc5)CC4)no3)CC2)cn1
InChIInChI=1S/C26H29N5O3/c32-24(33)21-7-6-19(15-27-21)31-12-8-18(9-13-31)23-29-25(30-34-23)26(10-11-26)16-28-22-14-20(22)17-4-2-1-3-5-17/h1-7,15,18,20,22,28H,8-14,16H2,(H,32,33)/t20-,22+/m1/s1
InChIKeyIVVHHBMSHLZCDL-IRLDBZIGSA-N
MW459.55 g/mol
LogP3.72
Rot. Bonds8

About 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid

5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 155265647) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID155265647
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(c3nc(C4(CN[C@H]5C[C@@H]5c5ccccc5)CC4)no3)CC2)cn1
InChIInChI=1S/C26H29N5O3/c32-24(33)21-7-6-19(15-27-21)31-12-8-18(9-13-31)23-29-25(30-34-23)26(10-11-26)16-28-22-14-20(22)17-4-2-1-3-5-17/h1-7,15,18,20,22,28H,8-14,16H2,(H,32,33)/t20-,22+/m1/s1
InChIKeyIVVHHBMSHLZCDL-IRLDBZIGSA-N
XLogP3.72
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

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CID 147668280
CID 147995059
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CID 148944736
CID 148944736
CID 70784277
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CID 26744874
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CID 45783845
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CID 50967606
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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 155265647) is 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(N2CCC(c3nc(C4(CN[C@H]5C[C@@H]5c5ccccc5)CC4)no3)CC2)cn1.
What is the InChIKey of 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is IVVHHBMSHLZCDL-IRLDBZIGSA-N. The full InChI is InChI=1S/C26H29N5O3/c32-24(33)21-7-6-19(15-27-21)31-12-8-18(9-13-31)23-29-25(30-34-23)26(10-11-26)16-28-22-14-20(22)17-4-2-1-3-5-17/h1-7,15,18,20,22,28H,8-14,16H2,(H,32,33)/t20-,22+/m1/s1.
What are the key properties of 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 459.55 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 155265647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).