(2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide

C26H41N7O2 — CID 146068942

IUPAC(2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide
SMILESCCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@H]2C[C@@]23C[C@@H](C(=O)NC)N(CC(C)C)C3)cn1
InChIInChI=1S/C26H41N7O2/c1-8-33-14-20(11-28-33)13-31(15-21-18(4)29-30(7)19(21)5)25(35)22-9-26(22)10-23(24(34)27-6)32(16-26)12-17(2)3/h11,14,17,22-23H,8-10,12-13,15-16H2,1-7H3,(H,27,34)/t22-,23+,26+/m1/s1
InChIKeyUBNUWAJOHKEFEL-UMFSSWHCSA-N
MW483.66 g/mol
LogP2.26
Rot. Bonds9

About (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide

(2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide (PubChem CID 146068942) has the molecular formula C26H41N7O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide.

Molecular Properties

Compound Name(2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide
PubChem CID146068942
Molecular FormulaC26H41N7O2
Molecular Weight483.66 g/mol
Exact Mass483.33
IUPAC Name(2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide
SMILESCCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@H]2C[C@@]23C[C@@H](C(=O)NC)N(CC(C)C)C3)cn1
InChIInChI=1S/C26H41N7O2/c1-8-33-14-20(11-28-33)13-31(15-21-18(4)29-30(7)19(21)5)25(35)22-9-26(22)10-23(24(34)27-6)32(16-26)12-17(2)3/h11,14,17,22-23H,8-10,12-13,15-16H2,1-7H3,(H,27,34)/t22-,23+,26+/m1/s1
InChIKeyUBNUWAJOHKEFEL-UMFSSWHCSA-N
XLogP2.26
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide with MolForge

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 50960275
N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide
CID 91762094
N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 46396702
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
1-(1-ethylpyrazol-4-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109061
1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477840
1-(2-hydroxyethyl)-3-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 72907404
2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 53195340
N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-N-(2-methylpropyl)-1H-imidazole-2-carboxamide
CID 91792565
N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611
1-[(1-ethylpyrazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342950

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide?
The IUPAC name of (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide (CID 146068942) is (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide.
What is the SMILES notation for (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide?
The canonical SMILES for (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide is CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@H]2C[C@@]23C[C@@H](C(=O)NC)N(CC(C)C)C3)cn1.
What is the InChIKey of (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide?
The InChIKey is UBNUWAJOHKEFEL-UMFSSWHCSA-N. The full InChI is InChI=1S/C26H41N7O2/c1-8-33-14-20(11-28-33)13-31(15-21-18(4)29-30(7)19(21)5)25(35)22-9-26(22)10-23(24(34)27-6)32(16-26)12-17(2)3/h11,14,17,22-23H,8-10,12-13,15-16H2,1-7H3,(H,27,34)/t22-,23+,26+/m1/s1.
What are the key properties of (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide?
(2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide has a molecular weight of 483.66 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-2-N-[(1-ethylpyrazol-4-yl)methyl]-6-N-methyl-5-(2-methylpropyl)-2-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2,6-dicarboxamide is sourced from PubChem (CID 146068942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).