N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide

C25H31N7O2 — CID 170412577

IUPACN-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(c1cn2ncc(CC3CCNC3=O)cc2n1)C(C1CC1)C1CC1
InChIInChI=1S/C25H31N7O2/c1-2-31-20(8-10-27-31)25(34)30-23(22(16-3-4-16)17-5-6-17)19-14-32-21(29-19)12-15(13-28-32)11-18-7-9-26-24(18)33/h8,10,12-14,16-18,22-23H,2-7,9,11H2,1H3,(H,26,33)(H,30,34)
InChIKeyHWXPRIJRLMFHQJ-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.53
Rot. Bonds9

About N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide

N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 170412577) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
PubChem CID170412577
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC NameN-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(c1cn2ncc(CC3CCNC3=O)cc2n1)C(C1CC1)C1CC1
InChIInChI=1S/C25H31N7O2/c1-2-31-20(8-10-27-31)25(34)30-23(22(16-3-4-16)17-5-6-17)19-14-32-21(29-19)12-15(13-28-32)11-18-7-9-26-24(18)33/h8,10,12-14,16-18,22-23H,2-7,9,11H2,1H3,(H,26,33)(H,30,34)
InChIKeyHWXPRIJRLMFHQJ-UHFFFAOYSA-N
XLogP2.53
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide (CID 170412577) is N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-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-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC(c1cn2ncc(CC3CCNC3=O)cc2n1)C(C1CC1)C1CC1.
What is the InChIKey of N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is HWXPRIJRLMFHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-2-31-20(8-10-27-31)25(34)30-23(22(16-3-4-16)17-5-6-17)19-14-32-21(29-19)12-15(13-28-32)11-18-7-9-26-24(18)33/h8,10,12-14,16-18,22-23H,2-7,9,11H2,1H3,(H,26,33)(H,30,34).
What are the key properties of N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?
N-[2,2-dicyclopropyl-1-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 2.53, 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-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 170412577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).