2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide

C26H31N5O2 — CID 170167932

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(C4OC=C(C(N)=O)N4CC4CCNC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H31N5O2/c1-15(2)23-20-11-19(4-5-21(20)30-24(23)18-7-9-29-16(3)10-18)26-31(13-17-6-8-28-12-17)22(14-33-26)25(27)32/h4-5,7,9-11,14-15,17,26,28,30H,6,8,12-13H2,1-3H3,(H2,27,32)
InChIKeyMKGQJSXZEAIWOR-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.93
Rot. Bonds6

About 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 170167932) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide
PubChem CID170167932
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(C4OC=C(C(N)=O)N4CC4CCNC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H31N5O2/c1-15(2)23-20-11-19(4-5-21(20)30-24(23)18-7-9-29-16(3)10-18)26-31(13-17-6-8-28-12-17)22(14-33-26)25(27)32/h4-5,7,9-11,14-15,17,26,28,30H,6,8,12-13H2,1-3H3,(H2,27,32)
InChIKeyMKGQJSXZEAIWOR-UHFFFAOYSA-N
XLogP3.93
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(2-piperidin-1-ylethyl)-2H-1,3-oxazole-4-carboxamide
CID 170170360
5-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(1-propan-2-ylpiperidin-4-yl)-2H-1,3-oxazole-4-carboxamide
CID 170169794
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)propanamide
CID 155210880
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412
4-methyl-4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[(3S)-pyrrolidin-3-yl]pentan-3-one
CID 158912677
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide
CID 155210865
(3-methyloxetan-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329539
1-[(1R,2R)-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]cyclopropyl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 157373153
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-piperidin-3-ylpropanamide
CID 155210906
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-1-[(1R,2S)-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]cyclopropyl]ethanone
CID 158694166
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide (CID 170167932) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide is Cc1cc(-c2[nH]c3ccc(C4OC=C(C(N)=O)N4CC4CCNC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide?
The InChIKey is MKGQJSXZEAIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-15(2)23-20-11-19(4-5-21(20)30-24(23)18-7-9-29-16(3)10-18)26-31(13-17-6-8-28-12-17)22(14-33-26)25(27)32/h4-5,7,9-11,14-15,17,26,28,30H,6,8,12-13H2,1-3H3,(H2,27,32).
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-3-(pyrrolidin-3-ylmethyl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170167932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).