N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

C17H16F2N6O — CID 134551655

IUPACN-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2ccnc12
InChIInChI=1S/C17H16F2N6O/c18-17(19)3-8-24(9-4-17)14-2-5-20-11-13(14)23-16(26)12-1-6-22-25-10-7-21-15(12)25/h1-2,5-7,10-11H,3-4,8-9H2,(H,23,26)
InChIKeyIQZQCERNFAXKFQ-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.61
Rot. Bonds3

About N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551655) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551655
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC NameN-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2ccnc12
InChIInChI=1S/C17H16F2N6O/c18-17(19)3-8-24(9-4-17)14-2-5-20-11-13(14)23-16(26)12-1-6-22-25-10-7-21-15(12)25/h1-2,5-7,10-11H,3-4,8-9H2,(H,23,26)
InChIKeyIQZQCERNFAXKFQ-UHFFFAOYSA-N
XLogP2.61
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 57378391
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551655) is N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2ccnc12.
What is the InChIKey of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is IQZQCERNFAXKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c18-17(19)3-8-24(9-4-17)14-2-5-20-11-13(14)23-16(26)12-1-6-22-25-10-7-21-15(12)25/h1-2,5-7,10-11H,3-4,8-9H2,(H,23,26).
What are the key properties of N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).