tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate

C26H34ClN5O2 — CID 164929980

IUPACtert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn(CC5CCCC5)c4)c(Cl)cnc3[nH]2)CC1
InChIInChI=1S/C26H34ClN5O2/c1-26(2,3)34-25(33)31-10-8-18(9-11-31)22-12-20-23(21(27)14-28-24(20)30-22)19-13-29-32(16-19)15-17-6-4-5-7-17/h12-14,16-18H,4-11,15H2,1-3H3,(H,28,30)
InChIKeyOVSRXUFVBXKBMP-UHFFFAOYSA-N
MW484.04 g/mol
LogP6.38
Rot. Bonds4

About tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 164929980) has the molecular formula C26H34ClN5O2 and a molecular weight of 484.04 g/mol. Its IUPAC name is tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID164929980
Molecular FormulaC26H34ClN5O2
Molecular Weight484.04 g/mol
Exact Mass483.24
IUPAC Nametert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn(CC5CCCC5)c4)c(Cl)cnc3[nH]2)CC1
InChIInChI=1S/C26H34ClN5O2/c1-26(2,3)34-25(33)31-10-8-18(9-11-31)22-12-20-23(21(27)14-28-24(20)30-22)19-13-29-32(16-19)15-17-6-4-5-7-17/h12-14,16-18H,4-11,15H2,1-3H3,(H,28,30)
InChIKeyOVSRXUFVBXKBMP-UHFFFAOYSA-N
XLogP6.38
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.04
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-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

Related Compounds

tert-butyl 4-[5-chloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 164929983
tert-butyl 4-[[4-(5-amino-3-chloro-2-pyridinyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 166595346
tert-butyl 4-[[4-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 172907087
tert-butyl 4-[[4-(2-amino-4-pyridinyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 166513769
tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate
CID 132820170
tert-butyl 4-[[4-(3-amino-2,6-difluorophenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 171921646
tert-butyl 4-[[4-(5-ethenyl-2-fluorophenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 171919908
2-methyl-3-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazol-4-yl]benzoic acid
CID 171362114
tert-butyl 4-[[2-[[6-[1-(cyclobutylmethyl)pyrazol-4-yl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 129245644
tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate
CID 162748913
tert-butyl 4-[[4-[3-cyano-5-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 172990006
tert-butyl 4-[[4-(4-cyano-2-methoxyphenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 172914764

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate (CID 164929980) is tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn(CC5CCCC5)c4)c(Cl)cnc3[nH]2)CC1.
What is the InChIKey of tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is OVSRXUFVBXKBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN5O2/c1-26(2,3)34-25(33)31-10-8-18(9-11-31)22-12-20-23(21(27)14-28-24(20)30-22)19-13-29-32(16-19)15-17-6-4-5-7-17/h12-14,16-18H,4-11,15H2,1-3H3,(H,28,30).
What are the key properties of tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 484.04 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 164929980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).