tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate

C28H32ClN7O2 — CID 86707036

IUPACtert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate
SMILESCCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(Cl)c(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2)c1
InChIInChI=1S/C28H32ClN7O2/c1-5-18-11-19(14-30-13-18)23-12-24-20(15-31-23)16-32-36(24)25-9-8-22(29)26(34-25)35-10-6-7-21(17-35)33-27(37)38-28(2,3)4/h8-9,11-16,21H,5-7,10,17H2,1-4H3,(H,33,37)/t21-/m0/s1
InChIKeyFSXJYCQHURODBW-NRFANRHFSA-N
MW534.06 g/mol
LogP5.59
Rot. Bonds5

About tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate

tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate (PubChem CID 86707036) has the molecular formula C28H32ClN7O2 and a molecular weight of 534.06 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate
PubChem CID86707036
Molecular FormulaC28H32ClN7O2
Molecular Weight534.06 g/mol
Exact Mass533.23
IUPAC Nametert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate
SMILESCCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(Cl)c(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2)c1
InChIInChI=1S/C28H32ClN7O2/c1-5-18-11-19(14-30-13-18)23-12-24-20(15-31-23)16-32-36(24)25-9-8-22(29)26(34-25)35-10-6-7-21(17-35)33-27(37)38-28(2,3)4/h8-9,11-16,21H,5-7,10,17H2,1-4H3,(H,33,37)/t21-/m0/s1
InChIKeyFSXJYCQHURODBW-NRFANRHFSA-N
XLogP5.59
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.06
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate (CID 86707036) is tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate is CCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(Cl)c(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2)c1.
What is the InChIKey of tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate?
The InChIKey is FSXJYCQHURODBW-NRFANRHFSA-N. The full InChI is InChI=1S/C28H32ClN7O2/c1-5-18-11-19(14-30-13-18)23-12-24-20(15-31-23)16-32-36(24)25-9-8-22(29)26(34-25)35-10-6-7-21(17-35)33-27(37)38-28(2,3)4/h8-9,11-16,21H,5-7,10,17H2,1-4H3,(H,33,37)/t21-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate has a molecular weight of 534.06 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 86707036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).