N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide

C26H33N7O2 — CID 170340467

IUPACN-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(c1cn2nc(C[C@H]3CCCNC3=O)ccc2n1)C(C1CC1)C1CC1
InChIInChI=1S/C26H33N7O2/c1-2-32-21(11-13-28-32)26(35)30-24(23(16-5-6-16)17-7-8-17)20-15-33-22(29-20)10-9-19(31-33)14-18-4-3-12-27-25(18)34/h9-11,13,15-18,23-24H,2-8,12,14H2,1H3,(H,27,34)(H,30,35)/t18-,24?/m1/s1
InChIKeyMQMOBRWINSBLQV-QFADGXAASA-N
MW475.60 g/mol
LogP2.92
Rot. Bonds9

About N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide

N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 170340467) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
PubChem CID170340467
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC NameN-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(c1cn2nc(C[C@H]3CCCNC3=O)ccc2n1)C(C1CC1)C1CC1
InChIInChI=1S/C26H33N7O2/c1-2-32-21(11-13-28-32)26(35)30-24(23(16-5-6-16)17-7-8-17)20-15-33-22(29-20)10-9-19(31-33)14-18-4-3-12-27-25(18)34/h9-11,13,15-18,23-24H,2-8,12,14H2,1H3,(H,27,34)(H,30,35)/t18-,24?/m1/s1
InChIKeyMQMOBRWINSBLQV-QFADGXAASA-N
XLogP2.92
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide (CID 170340467) is N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC(c1cn2nc(C[C@H]3CCCNC3=O)ccc2n1)C(C1CC1)C1CC1.
What is the InChIKey of N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is MQMOBRWINSBLQV-QFADGXAASA-N. The full InChI is InChI=1S/C26H33N7O2/c1-2-32-21(11-13-28-32)26(35)30-24(23(16-5-6-16)17-7-8-17)20-15-33-22(29-20)10-9-19(31-33)14-18-4-3-12-27-25(18)34/h9-11,13,15-18,23-24H,2-8,12,14H2,1H3,(H,27,34)(H,30,35)/t18-,24?/m1/s1.
What are the key properties of N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?
N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dicyclopropyl-1-[6-[[(3R)-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 170340467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).