tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate

C33H39FN6O5 — CID 134328534

IUPACtert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C33H39FN6O5/c1-6-44-27-15-28-35-17-29(39(28)19-25(27)33(43)9-11-38(12-10-33)31(42)45-32(3,4)5)40-18-21(16-36-40)23-14-24(26(34)13-20(23)2)30(41)37-22-7-8-22/h13-19,22,43H,6-12H2,1-5H3,(H,37,41)
InChIKeyMBAORTYHAQPRLR-UHFFFAOYSA-N
MW618.71 g/mol
LogP5.14
Rot. Bonds7

About tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 134328534) has the molecular formula C33H39FN6O5 and a molecular weight of 618.71 g/mol. Its IUPAC name is tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
PubChem CID134328534
Molecular FormulaC33H39FN6O5
Molecular Weight618.71 g/mol
Exact Mass618.30
IUPAC Nametert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C33H39FN6O5/c1-6-44-27-15-28-35-17-29(39(28)19-25(27)33(43)9-11-38(12-10-33)31(42)45-32(3,4)5)40-18-21(16-36-40)23-14-24(26(34)13-20(23)2)30(41)37-22-7-8-22/h13-19,22,43H,6-12H2,1-5H3,(H,37,41)
InChIKeyMBAORTYHAQPRLR-UHFFFAOYSA-N
XLogP5.14
TPSA123.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.71
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate (CID 134328534) is tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate is CCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is MBAORTYHAQPRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39FN6O5/c1-6-44-27-15-28-35-17-29(39(28)19-25(27)33(43)9-11-38(12-10-33)31(42)45-32(3,4)5)40-18-21(16-36-40)23-14-24(26(34)13-20(23)2)30(41)37-22-7-8-22/h13-19,22,43H,6-12H2,1-5H3,(H,37,41).
What are the key properties of tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 618.71 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 134328534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).