N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide

C24H30N8O — CID 165134084

IUPACN-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCN1CCN(c2cc(C3CC3)nn3cc(CNc4ccnc(NC(=O)C5CC5)c4)nc23)CC1
InChIInChI=1S/C24H30N8O/c1-30-8-10-31(11-9-30)21-13-20(16-2-3-16)29-32-15-19(27-23(21)32)14-26-18-6-7-25-22(12-18)28-24(33)17-4-5-17/h6-7,12-13,15-17H,2-5,8-11,14H2,1H3,(H2,25,26,28,33)
InChIKeyITJRUKKPOYOJBI-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.71
Rot. Bonds7

About N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 165134084) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID165134084
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC NameN-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCN1CCN(c2cc(C3CC3)nn3cc(CNc4ccnc(NC(=O)C5CC5)c4)nc23)CC1
InChIInChI=1S/C24H30N8O/c1-30-8-10-31(11-9-30)21-13-20(16-2-3-16)29-32-15-19(27-23(21)32)14-26-18-6-7-25-22(12-18)28-24(33)17-4-5-17/h6-7,12-13,15-17H,2-5,8-11,14H2,1H3,(H2,25,26,28,33)
InChIKeyITJRUKKPOYOJBI-UHFFFAOYSA-N
XLogP2.71
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide (CID 165134084) is N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide is CN1CCN(c2cc(C3CC3)nn3cc(CNc4ccnc(NC(=O)C5CC5)c4)nc23)CC1.
What is the InChIKey of N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ITJRUKKPOYOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-30-8-10-31(11-9-30)21-13-20(16-2-3-16)29-32-15-19(27-23(21)32)14-26-18-6-7-25-22(12-18)28-24(33)17-4-5-17/h6-7,12-13,15-17H,2-5,8-11,14H2,1H3,(H2,25,26,28,33).
What are the key properties of N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 165134084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).