6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

C31H30N6OS — CID 58101527

IUPAC6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESCC(C)N1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1
InChIInChI=1S/C31H30N6OS/c1-21(2)36-15-17-37(18-16-36)23-19-27(22-9-4-3-5-10-22)33-28(20-23)29(38)34-25-12-7-6-11-24(25)30-35-26-13-8-14-32-31(26)39-30/h3-14,19-21H,15-18H2,1-2H3,(H,34,38)
InChIKeyIJQJLYIGWJYPJI-UHFFFAOYSA-N
MW534.69 g/mol
LogP6.20
Rot. Bonds6

About 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58101527) has the molecular formula C31H30N6OS and a molecular weight of 534.69 g/mol. Its IUPAC name is 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID58101527
Molecular FormulaC31H30N6OS
Molecular Weight534.69 g/mol
Exact Mass534.22
IUPAC Name6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESCC(C)N1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1
InChIInChI=1S/C31H30N6OS/c1-21(2)36-15-17-37(18-16-36)23-19-27(22-9-4-3-5-10-22)33-28(20-23)29(38)34-25-12-7-6-11-24(25)30-35-26-13-8-14-32-31(26)39-30/h3-14,19-21H,15-18H2,1-2H3,(H,34,38)
InChIKeyIJQJLYIGWJYPJI-UHFFFAOYSA-N
XLogP6.20
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-butylpiperazin-1-yl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 71013781
4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;hydrochloride
CID 66867968
4-[bis(2-methoxyethyl)amino]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 58101547
4-(2-bromoethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 159288659
6-(1,3-dihydroxypropan-2-ylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 66867745
2-phenyl-6-(pyrrolidin-1-ylmethyl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624112
6-(benzylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101482
6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42623129
6-[[(2S)-2,3-dihydroxypropyl]amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624296
6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 143803020
6-(2-aminoethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101617
2-phenyl-5-(pyrrolidin-1-ylmethyl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 46245134

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 58101527) is 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is CC(C)N1CCN(c2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1.
What is the InChIKey of 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is IJQJLYIGWJYPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6OS/c1-21(2)36-15-17-37(18-16-36)23-19-27(22-9-4-3-5-10-22)33-28(20-23)29(38)34-25-12-7-6-11-24(25)30-35-26-13-8-14-32-31(26)39-30/h3-14,19-21H,15-18H2,1-2H3,(H,34,38).
What are the key properties of 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 534.69 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58101527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).