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

C26H29N5O2 — CID 150501123

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(-c4nc(C(=O)NCC5CCNC5)co4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H29N5O2/c1-15(2)23-20-11-19(4-5-21(20)30-24(23)18-7-9-28-16(3)10-18)26-31-22(14-33-26)25(32)29-13-17-6-8-27-12-17/h4-5,7,9-11,14-15,17,27,30H,6,8,12-13H2,1-3H3,(H,29,32)
InChIKeyHXVNMLJQDDSRDJ-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.66
Rot. Bonds6

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 150501123) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID150501123
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(-c4nc(C(=O)NCC5CCNC5)co4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H29N5O2/c1-15(2)23-20-11-19(4-5-21(20)30-24(23)18-7-9-28-16(3)10-18)26-31-22(14-33-26)25(32)29-13-17-6-8-27-12-17/h4-5,7,9-11,14-15,17,27,30H,6,8,12-13H2,1-3H3,(H,29,32)
InChIKeyHXVNMLJQDDSRDJ-UHFFFAOYSA-N
XLogP4.66
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 150501123) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-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]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2[nH]c3ccc(-c4nc(C(=O)NCC5CCNC5)co4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HXVNMLJQDDSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-15(2)23-20-11-19(4-5-21(20)30-24(23)18-7-9-28-16(3)10-18)26-31-22(14-33-26)25(32)29-13-17-6-8-27-12-17/h4-5,7,9-11,14-15,17,27,30H,6,8,12-13H2,1-3H3,(H,29,32).
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.66, 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]-N-(pyrrolidin-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 150501123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).