tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate

C24H30N6O3 — CID 122585582

IUPACtert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCN1c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C24H30N6O3/c1-24(2,3)33-23(31)18-5-4-10-30(18)19-15-20(29-11-13-32-14-12-29)27-21-16(19)6-8-25-22(21)17-7-9-26-28-17/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,26,28)
InChIKeyNCHNEHCVSAJGHK-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate

tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate (PubChem CID 122585582) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate
PubChem CID122585582
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Nametert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCN1c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C24H30N6O3/c1-24(2,3)33-23(31)18-5-4-10-30(18)19-15-20(29-11-13-32-14-12-29)27-21-16(19)6-8-25-22(21)17-7-9-26-28-17/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,26,28)
InChIKeyNCHNEHCVSAJGHK-UHFFFAOYSA-N
XLogP3.17
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate (CID 122585582) is tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)C1CCCN1c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate?
The InChIKey is NCHNEHCVSAJGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-24(2,3)33-23(31)18-5-4-10-30(18)19-15-20(29-11-13-32-14-12-29)27-21-16(19)6-8-25-22(21)17-7-9-26-28-17/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,26,28).
What are the key properties of tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate?
tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate has a molecular weight of 450.54 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 122585582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).