tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C27H32N4O5 — CID 146300623

IUPACtert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1c(-c2cnc3c(c2)COC3)nn(-c2ccccc2)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H32N4O5/c1-17-22(18-13-19-15-34-16-21(19)28-14-18)29-31(20-11-9-8-10-12-20)23(17)30(24(32)35-26(2,3)4)25(33)36-27(5,6)7/h8-14H,15-16H2,1-7H3
InChIKeyTZNNPBNTZFIGKS-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.95
Rot. Bonds3

About tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 146300623) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID146300623
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Nametert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1c(-c2cnc3c(c2)COC3)nn(-c2ccccc2)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H32N4O5/c1-17-22(18-13-19-15-34-16-21(19)28-14-18)29-31(20-11-9-8-10-12-20)23(17)30(24(32)35-26(2,3)4)25(33)36-27(5,6)7/h8-14H,15-16H2,1-7H3
InChIKeyTZNNPBNTZFIGKS-UHFFFAOYSA-N
XLogP5.95
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

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Related Compounds

[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methyl-1-phenylpyrazol-3-yl] trifluoromethanesulfonate
CID 134567656
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-nitro-1-phenyl-3-pyridin-3-ylpyrazol-5-yl)carbamate
CID 57436900
1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea
CID 159339726
[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate
CID 142337250
3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-amine
CID 146550498
N-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]carbamoyl iodide
CID 126735923
phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 167377695
[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 139318982
tert-butyl N-[5-[5-[[(2S,3R,5S)-2-(2-fluoro-4-pyridinyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyrimidin-2-yl]-N-methylcarbamate
CID 135226342
methyl 4-bromo-5-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-phenylpyrazole-3-carboxylate
CID 102361926
[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methoxy-3-pyridinyl]methyl acetate;formaldehyde;methanamine
CID 145229033
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-diphenylpyrazole-4-carboxylic acid
CID 15288287

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 146300623) is tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1c(-c2cnc3c(c2)COC3)nn(-c2ccccc2)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is TZNNPBNTZFIGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-17-22(18-13-19-15-34-16-21(19)28-14-18)29-31(20-11-9-8-10-12-20)23(17)30(24(32)35-26(2,3)4)25(33)36-27(5,6)7/h8-14H,15-16H2,1-7H3.
What are the key properties of tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 492.58 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 146300623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).