tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate

C21H26ClN5O3 — CID 66759891

IUPACtert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCc1c(Cl)oc2c(N)ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c12
InChIInChI=1S/C21H26ClN5O3/c1-12-16-15(10-24-19(23)17(16)29-18(12)22)13-9-25-27(11-13)14-5-7-26(8-6-14)20(28)30-21(2,3)4/h9-11,14H,5-8H2,1-4H3,(H2,23,24)
InChIKeyVJHAMYXMKDIXOC-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.81
Rot. Bonds2

About tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 66759891) has the molecular formula C21H26ClN5O3 and a molecular weight of 431.92 g/mol. Its IUPAC name is tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID66759891
Molecular FormulaC21H26ClN5O3
Molecular Weight431.92 g/mol
Exact Mass431.17
IUPAC Nametert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCc1c(Cl)oc2c(N)ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c12
InChIInChI=1S/C21H26ClN5O3/c1-12-16-15(10-24-19(23)17(16)29-18(12)22)13-9-25-27(11-13)14-5-7-26(8-6-14)20(28)30-21(2,3)4/h9-11,14H,5-8H2,1-4H3,(H2,23,24)
InChIKeyVJHAMYXMKDIXOC-UHFFFAOYSA-N
XLogP4.81
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate (CID 66759891) is tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate is Cc1c(Cl)oc2c(N)ncc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c12.
What is the InChIKey of tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is VJHAMYXMKDIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O3/c1-12-16-15(10-24-19(23)17(16)29-18(12)22)13-9-25-27(11-13)14-5-7-26(8-6-14)20(28)30-21(2,3)4/h9-11,14H,5-8H2,1-4H3,(H2,23,24).
What are the key properties of tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 431.92 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66759891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).