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

C32H35ClN8O4 — CID 134435337

IUPACtert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCNC(=O)OC(C)(C)C)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H35ClN8O4/c1-31(2,3)45-30(43)36-12-15-44-23-16-24(28-22(17-34)19-38-41(28)20-23)21-7-8-26(37-18-21)40-13-9-32(4,10-14-40)39-29(42)27-25(33)6-5-11-35-27/h5-8,11,16,18-20H,9-10,12-15H2,1-4H3,(H,36,43)(H,39,42)
InChIKeySUZHTFCUIGSWRR-UHFFFAOYSA-N
MW631.14 g/mol
LogP5.01
Rot. Bonds8

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

tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate (PubChem CID 134435337) has the molecular formula C32H35ClN8O4 and a molecular weight of 631.14 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate
PubChem CID134435337
Molecular FormulaC32H35ClN8O4
Molecular Weight631.14 g/mol
Exact Mass630.25
IUPAC Nametert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCNC(=O)OC(C)(C)C)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H35ClN8O4/c1-31(2,3)45-30(43)36-12-15-44-23-16-24(28-22(17-34)19-38-41(28)20-23)21-7-8-26(37-18-21)40-13-9-32(4,10-14-40)39-29(42)27-25(33)6-5-11-35-27/h5-8,11,16,18-20H,9-10,12-15H2,1-4H3,(H,36,43)(H,39,42)
InChIKeySUZHTFCUIGSWRR-UHFFFAOYSA-N
XLogP5.01
TPSA146.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.14
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate (CID 134435337) is tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate is CC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCNC(=O)OC(C)(C)C)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate?
The InChIKey is SUZHTFCUIGSWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN8O4/c1-31(2,3)45-30(43)36-12-15-44-23-16-24(28-22(17-34)19-38-41(28)20-23)21-7-8-26(37-18-21)40-13-9-32(4,10-14-40)39-29(42)27-25(33)6-5-11-35-27/h5-8,11,16,18-20H,9-10,12-15H2,1-4H3,(H,36,43)(H,39,42).
What are the key properties of tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate?
tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate has a molecular weight of 631.14 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]carbamate is sourced from PubChem (CID 134435337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).