N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine

C26H28N6OS — CID 121485552

IUPACN-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Cn2nc(NC3Sc4ccccc4N3C3CCNCC3)c3ncccc32)cc1
InChIInChI=1S/C26H28N6OS/c1-33-20-10-8-18(9-11-20)17-31-22-6-4-14-28-24(22)25(30-31)29-26-32(19-12-15-27-16-13-19)21-5-2-3-7-23(21)34-26/h2-11,14,19,26-27H,12-13,15-17H2,1H3,(H,29,30)
InChIKeyTWOLBNWFGOFPTB-UHFFFAOYSA-N
MW472.62 g/mol
LogP4.55
Rot. Bonds6

About N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine

N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine (PubChem CID 121485552) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine
PubChem CID121485552
Molecular FormulaC26H28N6OS
Molecular Weight472.62 g/mol
Exact Mass472.20
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Cn2nc(NC3Sc4ccccc4N3C3CCNCC3)c3ncccc32)cc1
InChIInChI=1S/C26H28N6OS/c1-33-20-10-8-18(9-11-20)17-31-22-6-4-14-28-24(22)25(30-31)29-26-32(19-12-15-27-16-13-19)21-5-2-3-7-23(21)34-26/h2-11,14,19,26-27H,12-13,15-17H2,1H3,(H,29,30)
InChIKeyTWOLBNWFGOFPTB-UHFFFAOYSA-N
XLogP4.55
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1,1-difluoro-2,2-dimethylpropyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-1,2-benzoxazol-6-amine
CID 134190150
4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine
CID 74240471
(4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone
CID 112533795
3-[4-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-3-yl]-1-methoxyprop-2-en-1-ol
CID 91611670
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051
3-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methyl]indazole
CID 51357040
4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid
CID 118638606
N-[(E)-1-[5-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]-1,2-benzoxazol-3-yl]ethylideneamino]-4-methylbenzenesulfonamide
CID 172959054
2-[1-[(4-methoxyphenyl)methyl]-4-methylindazol-3-yl]acetaldehyde
CID 89115363
2-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-5-phenoxybenzamide
CID 118623901
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline
CID 67504085

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine (CID 121485552) is N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine is COc1ccc(Cn2nc(NC3Sc4ccccc4N3C3CCNCC3)c3ncccc32)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine?
The InChIKey is TWOLBNWFGOFPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-33-20-10-8-18(9-11-20)17-31-22-6-4-14-28-24(22)25(30-31)29-26-32(19-12-15-27-16-13-19)21-5-2-3-7-23(21)34-26/h2-11,14,19,26-27H,12-13,15-17H2,1H3,(H,29,30).
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine?
N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine has a molecular weight of 472.62 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-piperidin-4-yl-2H-1,3-benzothiazol-2-amine is sourced from PubChem (CID 121485552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).