cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate

C34H37N7O6S — CID 67057516

IUPACcyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate
SMILESCCNC(=O)Nc1ncc(-c2cc(C(=O)OCC3CC3)cnc2OCC2CC2)c(-c2nc(-c3cnn(C)c3)cs2)c1C(=O)OCC1CC1
InChIInChI=1S/C34H37N7O6S/c1-3-35-34(44)40-29-28(33(43)47-17-21-8-9-21)27(31-39-26(18-48-31)23-12-38-41(2)14-23)25(13-36-29)24-10-22(32(42)46-16-20-6-7-20)11-37-30(24)45-15-19-4-5-19/h10-14,18-21H,3-9,15-17H2,1-2H3,(H2,35,36,40,44)
InChIKeyAJZOUZRGQORAMK-UHFFFAOYSA-N
MW671.78 g/mol
LogP5.73
Rot. Bonds14

About cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate

cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate (PubChem CID 67057516) has the molecular formula C34H37N7O6S and a molecular weight of 671.78 g/mol. Its IUPAC name is cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate
PubChem CID67057516
Molecular FormulaC34H37N7O6S
Molecular Weight671.78 g/mol
Exact Mass671.25
IUPAC Namecyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate
SMILESCCNC(=O)Nc1ncc(-c2cc(C(=O)OCC3CC3)cnc2OCC2CC2)c(-c2nc(-c3cnn(C)c3)cs2)c1C(=O)OCC1CC1
InChIInChI=1S/C34H37N7O6S/c1-3-35-34(44)40-29-28(33(43)47-17-21-8-9-21)27(31-39-26(18-48-31)23-12-38-41(2)14-23)25(13-36-29)24-10-22(32(42)46-16-20-6-7-20)11-37-30(24)45-15-19-4-5-19/h10-14,18-21H,3-9,15-17H2,1-2H3,(H2,35,36,40,44)
InChIKeyAJZOUZRGQORAMK-UHFFFAOYSA-N
XLogP5.73
TPSA159.45 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500671.78
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate?
The IUPAC name of cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate (CID 67057516) is cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate?
The canonical SMILES for cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate is CCNC(=O)Nc1ncc(-c2cc(C(=O)OCC3CC3)cnc2OCC2CC2)c(-c2nc(-c3cnn(C)c3)cs2)c1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate?
The InChIKey is AJZOUZRGQORAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7O6S/c1-3-35-34(44)40-29-28(33(43)47-17-21-8-9-21)27(31-39-26(18-48-31)23-12-38-41(2)14-23)25(13-36-29)24-10-22(32(42)46-16-20-6-7-20)11-37-30(24)45-15-19-4-5-19/h10-14,18-21H,3-9,15-17H2,1-2H3,(H2,35,36,40,44).
What are the key properties of cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate?
cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate has a molecular weight of 671.78 g/mol, XLogP of 5.73, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 5-[2-(cyclopropylmethoxy)-5-(cyclopropylmethoxycarbonyl)-3-pyridinyl]-2-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 67057516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).