tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate

C32H36BrFN4O4S — CID 156828771

IUPACtert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
SMILESCOc1cc(C(=O)N2C[C@H](F)C[C@@H](NC(=O)OC(C)(C)C)C2)cn2nc(-c3sc4cccc(Br)c4c3CC3CC3)c(C)c12
InChIInChI=1S/C32H36BrFN4O4S/c1-17-27(29-22(11-18-9-10-18)26-23(33)7-6-8-25(26)43-29)36-38-14-19(12-24(41-5)28(17)38)30(39)37-15-20(34)13-21(16-37)35-31(40)42-32(2,3)4/h6-8,12,14,18,20-21H,9-11,13,15-16H2,1-5H3,(H,35,40)/t20-,21-/m1/s1
InChIKeyKSZQUMBDDMRMKY-NHCUHLMSSA-N
MW671.63 g/mol
LogP7.33
Rot. Bonds6

About tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate

tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate (PubChem CID 156828771) has the molecular formula C32H36BrFN4O4S and a molecular weight of 671.63 g/mol. Its IUPAC name is tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
PubChem CID156828771
Molecular FormulaC32H36BrFN4O4S
Molecular Weight671.63 g/mol
Exact Mass670.16
IUPAC Nametert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
SMILESCOc1cc(C(=O)N2C[C@H](F)C[C@@H](NC(=O)OC(C)(C)C)C2)cn2nc(-c3sc4cccc(Br)c4c3CC3CC3)c(C)c12
InChIInChI=1S/C32H36BrFN4O4S/c1-17-27(29-22(11-18-9-10-18)26-23(33)7-6-8-25(26)43-29)36-38-14-19(12-24(41-5)28(17)38)30(39)37-15-20(34)13-21(16-37)35-31(40)42-32(2,3)4/h6-8,12,14,18,20-21H,9-11,13,15-16H2,1-5H3,(H,35,40)/t20-,21-/m1/s1
InChIKeyKSZQUMBDDMRMKY-NHCUHLMSSA-N
XLogP7.33
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.63
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(3R,5R)-1-[2-[6-acetyl-1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
CID 156829433
benzyl 3-[[2-[1-(cyclopropylmethyl)indol-2-yl]-5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-7-methoxybenzimidazol-1-yl]methyl]azetidine-1-carboxylate
CID 146346165
[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(3-hydroxycyclobutyl)methanone
CID 156829307
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one
CID 156829549
tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid
CID 175831818
1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one
CID 166709460
tert-butyl N-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-4-(hydroxymethyl)-3-methyl-1-benzothiophene-6-carbonyl]piperidin-3-yl]carbamate
CID 175355120
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate
CID 171661894
tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate
CID 175355199
tert-butyl N-[(3R)-1-[2-[4-(cyclopropylmethyl)pyrrolo[2,3-d][1,3]thiazol-5-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamate
CID 156697304

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate (CID 156828771) is tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate is COc1cc(C(=O)N2C[C@H](F)C[C@@H](NC(=O)OC(C)(C)C)C2)cn2nc(-c3sc4cccc(Br)c4c3CC3CC3)c(C)c12.
What is the InChIKey of tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate?
The InChIKey is KSZQUMBDDMRMKY-NHCUHLMSSA-N. The full InChI is InChI=1S/C32H36BrFN4O4S/c1-17-27(29-22(11-18-9-10-18)26-23(33)7-6-8-25(26)43-29)36-38-14-19(12-24(41-5)28(17)38)30(39)37-15-20(34)13-21(16-37)35-31(40)42-32(2,3)4/h6-8,12,14,18,20-21H,9-11,13,15-16H2,1-5H3,(H,35,40)/t20-,21-/m1/s1.
What are the key properties of tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate?
tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate has a molecular weight of 671.63 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,5R)-1-[2-[4-bromo-3-(cyclopropylmethyl)-1-benzothiophen-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate is sourced from PubChem (CID 156828771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).