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

C32H37FN6O5 — CID 134338457

IUPACtert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C32H37FN6O5/c1-19-12-25(33)23(29(40)36-21-6-7-21)13-22(19)20-15-35-39(17-20)28-16-34-27-14-26(43-5)24(18-38(27)28)32(42)8-10-37(11-9-32)30(41)44-31(2,3)4/h12-18,21,42H,6-11H2,1-5H3,(H,36,40)
InChIKeyHGPDKIIVUKGENC-UHFFFAOYSA-N
MW604.68 g/mol
LogP4.75
Rot. Bonds6

About tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[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-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 134338457) has the molecular formula C32H37FN6O5 and a molecular weight of 604.68 g/mol. Its IUPAC name is tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[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-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
PubChem CID134338457
Molecular FormulaC32H37FN6O5
Molecular Weight604.68 g/mol
Exact Mass604.28
IUPAC Nametert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C32H37FN6O5/c1-19-12-25(33)23(29(40)36-21-6-7-21)13-22(19)20-15-35-39(17-20)28-16-34-27-14-26(43-5)24(18-38(27)28)32(42)8-10-37(11-9-32)30(41)44-31(2,3)4/h12-18,21,42H,6-11H2,1-5H3,(H,36,40)
InChIKeyHGPDKIIVUKGENC-UHFFFAOYSA-N
XLogP4.75
TPSA123.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.68
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-methoxyimidazo[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-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate (CID 134338457) is tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[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-methoxyimidazo[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-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate is COc1cc2ncc(-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-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is HGPDKIIVUKGENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN6O5/c1-19-12-25(33)23(29(40)36-21-6-7-21)13-22(19)20-15-35-39(17-20)28-16-34-27-14-26(43-5)24(18-38(27)28)32(42)8-10-37(11-9-32)30(41)44-31(2,3)4/h12-18,21,42H,6-11H2,1-5H3,(H,36,40).
What are the key properties of tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[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-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 604.68 g/mol, XLogP of 4.75, 6 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-methoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 134338457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).