tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate

C20H27N5O3 — CID 141439889

IUPACtert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc3cnc(NC(=O)C4CC4)cc32)CC1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)28-19(27)24-8-6-14(7-9-24)25-12-22-15-11-21-17(10-16(15)25)23-18(26)13-4-5-13/h10-14H,4-9H2,1-3H3,(H,21,23,26)
InChIKeyKPGWERSYWMXAMX-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate (PubChem CID 141439889) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
PubChem CID141439889
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Nametert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc3cnc(NC(=O)C4CC4)cc32)CC1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)28-19(27)24-8-6-14(7-9-24)25-12-22-15-11-21-17(10-16(15)25)23-18(26)13-4-5-13/h10-14H,4-9H2,1-3H3,(H,21,23,26)
InChIKeyKPGWERSYWMXAMX-UHFFFAOYSA-N
XLogP3.35
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate
CID 11381565
tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
CID 11255100
tert-butyl 4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidine-1-carboxylate;3-piperidin-4-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 67346251
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-oxothieno[3,2-d]pyrimidin-6-yl]boronic acid
CID 156888778
tert-butyl 2-[3-(benzimidazol-1-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 121193850
tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 56532103
tert-butyl 6-[[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]amino]-5-methoxybenzimidazole-1-carboxylate
CID 165148112
[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carbonyl]amino]-4-pyridinyl]boronic acid
CID 140853861
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
5-chloro-3-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]imidazole-4-carboxylic acid
CID 146504184
tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate
CID 114720084

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate (CID 141439889) is tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cnc3cnc(NC(=O)C4CC4)cc32)CC1.
What is the InChIKey of tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate?
The InChIKey is KPGWERSYWMXAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-20(2,3)28-19(27)24-8-6-14(7-9-24)25-12-22-15-11-21-17(10-16(15)25)23-18(26)13-4-5-13/h10-14H,4-9H2,1-3H3,(H,21,23,26).
What are the key properties of tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 141439889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).