tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate

C37H44ClN9O4 — CID 134434962

IUPACtert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCN(C(=O)OC(C)(C)C)CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C37H44ClN9O4/c1-25-7-6-8-29(38)32(25)34(48)43-37(5)9-11-45(12-10-37)31-23-40-30(22-41-31)28-19-27(24-47-33(28)26(20-39)21-42-47)50-18-17-44-13-15-46(16-14-44)35(49)51-36(2,3)4/h6-8,19,21-24H,9-18H2,1-5H3,(H,43,48)
InChIKeyUOSFMNQGDWPZSV-UHFFFAOYSA-N
MW714.27 g/mol
LogP5.35
Rot. Bonds8

About tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate (PubChem CID 134434962) has the molecular formula C37H44ClN9O4 and a molecular weight of 714.27 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate
PubChem CID134434962
Molecular FormulaC37H44ClN9O4
Molecular Weight714.27 g/mol
Exact Mass713.32
IUPAC Nametert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCN(C(=O)OC(C)(C)C)CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C37H44ClN9O4/c1-25-7-6-8-29(38)32(25)34(48)43-37(5)9-11-45(12-10-37)31-23-40-30(22-41-31)28-19-27(24-47-33(28)26(20-39)21-42-47)50-18-17-44-13-15-46(16-14-44)35(49)51-36(2,3)4/h6-8,19,21-24H,9-18H2,1-5H3,(H,43,48)
InChIKeyUOSFMNQGDWPZSV-UHFFFAOYSA-N
XLogP5.35
TPSA141.22 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500714.27
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate (CID 134434962) is tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate is Cc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCN(C(=O)OC(C)(C)C)CC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate?
The InChIKey is UOSFMNQGDWPZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44ClN9O4/c1-25-7-6-8-29(38)32(25)34(48)43-37(5)9-11-45(12-10-37)31-23-40-30(22-41-31)28-19-27(24-47-33(28)26(20-39)21-42-47)50-18-17-44-13-15-46(16-14-44)35(49)51-36(2,3)4/h6-8,19,21-24H,9-18H2,1-5H3,(H,43,48).
What are the key properties of tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate has a molecular weight of 714.27 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxyethyl]piperazine-1-carboxylate is sourced from PubChem (CID 134434962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).