tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate

C21H30N4O3 — CID 129029846

IUPACtert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate
SMILESCC1C(N2CCOCC2)=Nc2c1cncc2C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H30N4O3/c1-14-15-12-22-13-16(18(15)23-19(14)24-8-10-27-11-9-24)17-6-5-7-25(17)20(26)28-21(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyCJWOOWLUTUPZRF-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.63
Rot. Bonds1

About tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate (PubChem CID 129029846) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate
PubChem CID129029846
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Nametert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate
SMILESCC1C(N2CCOCC2)=Nc2c1cncc2C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H30N4O3/c1-14-15-12-22-13-16(18(15)23-19(14)24-8-10-27-11-9-24)17-6-5-7-25(17)20(26)28-21(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyCJWOOWLUTUPZRF-UHFFFAOYSA-N
XLogP3.63
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-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 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate (CID 129029846) is tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate is CC1C(N2CCOCC2)=Nc2c1cncc2C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate?
The InChIKey is CJWOOWLUTUPZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14-15-12-22-13-16(18(15)23-19(14)24-8-10-27-11-9-24)17-6-5-7-25(17)20(26)28-21(2,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methyl-2-morpholin-4-yl-3H-pyrrolo[3,2-c]pyridin-7-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129029846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).