tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate

C25H31N5O3 — CID 166961888

IUPACtert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCOc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1C1CC1
InChIInChI=1S/C25H31N5O3/c1-25(2,3)33-24(31)29-11-10-17(14-29)27-22-7-5-6-19(28-22)20-13-26-23-12-21(32-4)18(15-30(20)23)16-8-9-16/h5-7,12-13,15-17H,8-11,14H2,1-4H3,(H,27,28)
InChIKeyMSKXAZPSPAVWMN-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.70
Rot. Bonds5

About tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate

tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate (PubChem CID 166961888) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
PubChem CID166961888
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Nametert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCOc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1C1CC1
InChIInChI=1S/C25H31N5O3/c1-25(2,3)33-24(31)29-11-10-17(14-29)27-22-7-5-6-19(28-22)20-13-26-23-12-21(32-4)18(15-30(20)23)16-8-9-16/h5-7,12-13,15-17H,8-11,14H2,1-4H3,(H,27,28)
InChIKeyMSKXAZPSPAVWMN-UHFFFAOYSA-N
XLogP4.70
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961772
tert-butyl 3-[[6-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166962176
tert-butyl 3-[[6-[7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 167122404
6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-(5-methylpiperidin-3-yl)pyridin-2-amine
CID 169129461
tert-butyl 3-[[6-[6-(4,4-dimethyl-2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 164560908
3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;methane
CID 167605713
6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine
CID 166961670
2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961740
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129789
2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961630
methyl 3-[6-[[(3S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 163784857

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate (CID 166961888) is tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate is COc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1C1CC1.
What is the InChIKey of tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is MSKXAZPSPAVWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-25(2,3)33-24(31)29-11-10-17(14-29)27-22-7-5-6-19(28-22)20-13-26-23-12-21(32-4)18(15-30(20)23)16-8-9-16/h5-7,12-13,15-17H,8-11,14H2,1-4H3,(H,27,28).
What are the key properties of tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 449.56 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 166961888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).