N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine

C23H25N5S — CID 163920167

IUPACN,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine
SMILESCc1sc(N(C)C2CCNCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C23H25N5S/c1-15-21(27-23(29-15)28(2)18-8-10-24-11-9-18)20-14-26-22-19(20)12-17(13-25-22)16-6-4-3-5-7-16/h3-7,12-14,18,24H,8-11H2,1-2H3,(H,25,26)
InChIKeyQZTFFABUYFHINK-UHFFFAOYSA-N
MW403.56 g/mol
LogP4.85
Rot. Bonds4

About N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine

N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine (PubChem CID 163920167) has the molecular formula C23H25N5S and a molecular weight of 403.56 g/mol. Its IUPAC name is N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine
PubChem CID163920167
Molecular FormulaC23H25N5S
Molecular Weight403.56 g/mol
Exact Mass403.18
IUPAC NameN,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine
SMILESCc1sc(N(C)C2CCNCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C23H25N5S/c1-15-21(27-23(29-15)28(2)18-8-10-24-11-9-18)20-14-26-22-19(20)12-17(13-25-22)16-6-4-3-5-7-16/h3-7,12-14,18,24H,8-11H2,1-2H3,(H,25,26)
InChIKeyQZTFFABUYFHINK-UHFFFAOYSA-N
XLogP4.85
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 11515031
[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 11661380
2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 57344834
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44623244
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 141325162
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride
CID 153383564
1-[(3S)-3-[methyl-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 122421833
benzyl 4-[[methyl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-carboxylate
CID 11620807
N,4,5-trimethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 65168398

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine (CID 163920167) is N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine is Cc1sc(N(C)C2CCNCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12.
What is the InChIKey of N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine?
The InChIKey is QZTFFABUYFHINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5S/c1-15-21(27-23(29-15)28(2)18-8-10-24-11-9-18)20-14-26-22-19(20)12-17(13-25-22)16-6-4-3-5-7-16/h3-7,12-14,18,24H,8-11H2,1-2H3,(H,25,26).
What are the key properties of N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine?
N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine has a molecular weight of 403.56 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 163920167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).