4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole

C26H30N4S — CID 150061917

IUPAC4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4sc(C5CCNCC5)nc4C)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H30N4S/c1-15(2)23-21-14-20(25-17(4)29-26(31-25)18-7-10-27-11-8-18)5-6-22(21)30-24(23)19-9-12-28-16(3)13-19/h5-6,9,12-15,18,27,30H,7-8,10-11H2,1-4H3
InChIKeyDNMABWXCOJIHHC-UHFFFAOYSA-N
MW430.62 g/mol
LogP6.56
Rot. Bonds4

About 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole

4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole (PubChem CID 150061917) has the molecular formula C26H30N4S and a molecular weight of 430.62 g/mol. Its IUPAC name is 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole
PubChem CID150061917
Molecular FormulaC26H30N4S
Molecular Weight430.62 g/mol
Exact Mass430.22
IUPAC Name4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4sc(C5CCNCC5)nc4C)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H30N4S/c1-15(2)23-21-14-20(25-17(4)29-26(31-25)18-7-10-27-11-8-18)5-6-22(21)30-24(23)19-9-12-28-16(3)13-19/h5-6,9,12-15,18,27,30H,7-8,10-11H2,1-4H3
InChIKeyDNMABWXCOJIHHC-UHFFFAOYSA-N
XLogP6.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole (CID 150061917) is 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole is Cc1cc(-c2[nH]c3ccc(-c4sc(C5CCNCC5)nc4C)cc3c2C(C)C)ccn1.
What is the InChIKey of 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is DNMABWXCOJIHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4S/c1-15(2)23-21-14-20(25-17(4)29-26(31-25)18-7-10-27-11-8-18)5-6-22(21)30-24(23)19-9-12-28-16(3)13-19/h5-6,9,12-15,18,27,30H,7-8,10-11H2,1-4H3.
What are the key properties of 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole?
4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 430.62 g/mol, XLogP of 6.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 150061917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).