2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide

C44H67N11O4S — CID 169216749

IUPAC2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCC(C)(C)NC(=O)CN1CC2(CC(C(=O)NC3=CSC(CN4CCCCC4)N3)C2)C1.Cn1ccc(-c2cccnc2NC(=O)C2CC3(C2)CN(CC(=O)NC(C)(C)C)C3)n1
InChIInChI=1S/C22H30N6O2.C22H37N5O2S/c1-21(2,3)25-18(29)12-28-13-22(14-28)10-15(11-22)20(30)24-19-16(6-5-8-23-19)17-7-9-27(4)26-17;1-21(2,3)25-18(28)11-27-14-22(15-27)9-16(10-22)20(29)24-17-13-30-19(23-17)12-26-7-5-4-6-8-26/h5-9,15H,10-14H2,1-4H3,(H,25,29)(H,23,24,30);13,16,19,23H,4-12,14-15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyDUPPUSCUCZBAHL-UHFFFAOYSA-N
MW846.16 g/mol
LogP3.72
Rot. Bonds11

About 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide

2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 169216749) has the molecular formula C44H67N11O4S and a molecular weight of 846.16 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide
PubChem CID169216749
Molecular FormulaC44H67N11O4S
Molecular Weight846.16 g/mol
Exact Mass845.51
IUPAC Name2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCC(C)(C)NC(=O)CN1CC2(CC(C(=O)NC3=CSC(CN4CCCCC4)N3)C2)C1.Cn1ccc(-c2cccnc2NC(=O)C2CC3(C2)CN(CC(=O)NC(C)(C)C)C3)n1
InChIInChI=1S/C22H30N6O2.C22H37N5O2S/c1-21(2,3)25-18(29)12-28-13-22(14-28)10-15(11-22)20(30)24-19-16(6-5-8-23-19)17-7-9-27(4)26-17;1-21(2,3)25-18(28)11-27-14-22(15-27)9-16(10-22)20(29)24-17-13-30-19(23-17)12-26-7-5-4-6-8-26/h5-9,15H,10-14H2,1-4H3,(H,25,29)(H,23,24,30);13,16,19,23H,4-12,14-15H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyDUPPUSCUCZBAHL-UHFFFAOYSA-N
XLogP3.72
TPSA168.86 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.16
LogP ≤ 53.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide (CID 169216749) is 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide is CC(C)(C)NC(=O)CN1CC2(CC(C(=O)NC3=CSC(CN4CCCCC4)N3)C2)C1.Cn1ccc(-c2cccnc2NC(=O)C2CC3(C2)CN(CC(=O)NC(C)(C)C)C3)n1.
What is the InChIKey of 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is DUPPUSCUCZBAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2.C22H37N5O2S/c1-21(2,3)25-18(29)12-28-13-22(14-28)10-15(11-22)20(30)24-19-16(6-5-8-23-19)17-7-9-27(4)26-17;1-21(2,3)25-18(28)11-27-14-22(15-27)9-16(10-22)20(29)24-17-13-30-19(23-17)12-26-7-5-4-6-8-26/h5-9,15H,10-14H2,1-4H3,(H,25,29)(H,23,24,30);13,16,19,23H,4-12,14-15H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide?
2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 846.16 g/mol, XLogP of 3.72, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]-2-azaspiro[3.3]heptane-6-carboxamide;2-[2-(tert-butylamino)-2-oxoethyl]-N-[2-(piperidin-1-ylmethyl)-2,3-dihydro-1,3-thiazol-4-yl]-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 169216749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).