N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine

C29H32FN7 — CID 76765252

IUPACN-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine
SMILESFc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(N5CCC(NC6CC6)CC5)n4)n3n2)c1
InChIInChI=1S/C29H32FN7/c30-21-5-1-4-20(18-21)25-7-3-15-36(25)29-12-11-27-31-19-26(37(27)34-29)24-6-2-8-28(33-24)35-16-13-23(14-17-35)32-22-9-10-22/h1-2,4-6,8,11-12,18-19,22-23,25,32H,3,7,9-10,13-17H2
InChIKeyAWTNNHPWGVWPON-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.99
Rot. Bonds6

About N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine

N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine (PubChem CID 76765252) has the molecular formula C29H32FN7 and a molecular weight of 497.62 g/mol. Its IUPAC name is N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine
PubChem CID76765252
Molecular FormulaC29H32FN7
Molecular Weight497.62 g/mol
Exact Mass497.27
IUPAC NameN-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine
SMILESFc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(N5CCC(NC6CC6)CC5)n4)n3n2)c1
InChIInChI=1S/C29H32FN7/c30-21-5-1-4-20(18-21)25-7-3-15-36(25)29-12-11-27-31-19-26(37(27)34-29)24-6-2-8-28(33-24)35-16-13-23(14-17-35)32-22-9-10-22/h1-2,4-6,8,11-12,18-19,22-23,25,32H,3,7,9-10,13-17H2
InChIKeyAWTNNHPWGVWPON-UHFFFAOYSA-N
XLogP4.99
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine (CID 76765252) is N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine is Fc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(N5CCC(NC6CC6)CC5)n4)n3n2)c1.
What is the InChIKey of N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine?
The InChIKey is AWTNNHPWGVWPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7/c30-21-5-1-4-20(18-21)25-7-3-15-36(25)29-12-11-27-31-19-26(37(27)34-29)24-6-2-8-28(33-24)35-16-13-23(14-17-35)32-22-9-10-22/h1-2,4-6,8,11-12,18-19,22-23,25,32H,3,7,9-10,13-17H2.
What are the key properties of N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine?
N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine has a molecular weight of 497.62 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 76765252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).