tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate

C34H37ClN8O4 — CID 155301261

IUPACtert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCC4(NC(=O)OC(C)(C)C)CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C34H37ClN8O4/c1-32(2,3)47-31(45)41-34(9-10-34)21-46-24-16-25(29-23(17-36)19-39-43(29)20-24)22-7-8-27(38-18-22)42-14-11-33(4,12-15-42)40-30(44)28-26(35)6-5-13-37-28/h5-8,13,16,18-20H,9-12,14-15,21H2,1-4H3,(H,40,44)(H,41,45)
InChIKeyFTKJIVGVTHLUPN-UHFFFAOYSA-N
MW657.18 g/mol
LogP5.54
Rot. Bonds8

About tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate

tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate (PubChem CID 155301261) has the molecular formula C34H37ClN8O4 and a molecular weight of 657.18 g/mol. Its IUPAC name is tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate
PubChem CID155301261
Molecular FormulaC34H37ClN8O4
Molecular Weight657.18 g/mol
Exact Mass656.26
IUPAC Nametert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCC4(NC(=O)OC(C)(C)C)CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C34H37ClN8O4/c1-32(2,3)47-31(45)41-34(9-10-34)21-46-24-16-25(29-23(17-36)19-39-43(29)20-24)22-7-8-27(38-18-22)42-14-11-33(4,12-15-42)40-30(44)28-26(35)6-5-13-37-28/h5-8,13,16,18-20H,9-12,14-15,21H2,1-4H3,(H,40,44)(H,41,45)
InChIKeyFTKJIVGVTHLUPN-UHFFFAOYSA-N
XLogP5.54
TPSA146.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.18
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate with MolForge

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Related Compounds

3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134435978
3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 167072242
3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(5S)-4,5-dimethyl-1,4-diazepan-1-yl]methyl]piperidin-4-yl]pyridine-2-carboxamide;sulfane
CID 167651764
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate
CID 156654435
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide
CID 134436097
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-methylpyridine-3-carboxamide
CID 134497232
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-4-ethynylbenzamide
CID 146667149
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 134497183
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-dimethylpyridine-4-carboxamide
CID 134496877
N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134434698
ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate (CID 155301261) is tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate is CC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCC4(NC(=O)OC(C)(C)C)CC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate?
The InChIKey is FTKJIVGVTHLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37ClN8O4/c1-32(2,3)47-31(45)41-34(9-10-34)21-46-24-16-25(29-23(17-36)19-39-43(29)20-24)22-7-8-27(38-18-22)42-14-11-33(4,12-15-42)40-30(44)28-26(35)6-5-13-37-28/h5-8,13,16,18-20H,9-12,14-15,21H2,1-4H3,(H,40,44)(H,41,45).
What are the key properties of tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate?
tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate has a molecular weight of 657.18 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate is sourced from PubChem (CID 155301261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).