tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate

C24H29N5O3 — CID 167436683

IUPACtert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
SMILESCOc1ncccc1-c1cnn2ccc(N3CCC4C3CCN4C(=O)OC(C)(C)C)cc12
InChIInChI=1S/C24H29N5O3/c1-24(2,3)32-23(30)28-12-9-19-20(28)8-11-27(19)16-7-13-29-21(14-16)18(15-26-29)17-6-5-10-25-22(17)31-4/h5-7,10,13-15,19-20H,8-9,11-12H2,1-4H3
InChIKeyKUQCORPUUWHKCR-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.99
Rot. Bonds3

About tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate

tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate (PubChem CID 167436683) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
PubChem CID167436683
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Nametert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
SMILESCOc1ncccc1-c1cnn2ccc(N3CCC4C3CCN4C(=O)OC(C)(C)C)cc12
InChIInChI=1S/C24H29N5O3/c1-24(2,3)32-23(30)28-12-9-19-20(28)8-11-27(19)16-7-13-29-21(14-16)18(15-26-29)17-6-5-10-25-22(17)31-4/h5-7,10,13-15,19-20H,8-9,11-12H2,1-4H3
InChIKeyKUQCORPUUWHKCR-UHFFFAOYSA-N
XLogP3.99
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (1R)-5-(6-methoxycarbonyl-3-pyridinyl)-2,5-diazabicyclo[4.2.0]octane-2-carboxylate
CID 176817106
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486
tert-butyl (2S)-2-[(1R,2R)-2-[(2-methoxy-3-pyridinyl)methylamino]cyclopentyl]pyrrolidine-1-carboxylate
CID 98848572
tert-butyl (2S)-2-[3-(2-cyano-3-pyridinyl)-1,2-oxazol-5-yl]azetidine-1-carboxylate
CID 69240705
tert-butyl 2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 106637826
tert-butyl 2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidine-1-carboxylate
CID 69237791
tert-butyl (2S)-2-[(3-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 97173574
tert-butyl (2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidine-1-carboxylate
CID 69237787
tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542392
tert-butyl (2S)-2-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxylate
CID 164551558
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 67470714

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate?
The IUPAC name of tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate (CID 167436683) is tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate.
What is the SMILES notation for tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate?
The canonical SMILES for tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate is COc1ncccc1-c1cnn2ccc(N3CCC4C3CCN4C(=O)OC(C)(C)C)cc12.
What is the InChIKey of tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate?
The InChIKey is KUQCORPUUWHKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-24(2,3)32-23(30)28-12-9-19-20(28)8-11-27(19)16-7-13-29-21(14-16)18(15-26-29)17-6-5-10-25-22(17)31-4/h5-7,10,13-15,19-20H,8-9,11-12H2,1-4H3.
What are the key properties of tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate?
tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate has a molecular weight of 435.53 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate is sourced from PubChem (CID 167436683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).