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

C21H23F2N7O — CID 134551665

IUPAC3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C21H23F2N7O/c22-21(23)5-9-29(10-6-21)17-4-7-24-12-16(17)28-20(31)15-3-8-27-30-18(13-26-19(15)30)25-11-14-1-2-14/h3-4,7-8,12-14,25H,1-2,5-6,9-11H2,(H,28,31)
InChIKeyKVVPUEYLAZZLFF-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.43
Rot. Bonds6

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

3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551665) has the molecular formula C21H23F2N7O and a molecular weight of 427.46 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551665
Molecular FormulaC21H23F2N7O
Molecular Weight427.46 g/mol
Exact Mass427.19
IUPAC Name3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2c(NCC3CC3)cnc12
InChIInChI=1S/C21H23F2N7O/c22-21(23)5-9-29(10-6-21)17-4-7-24-12-16(17)28-20(31)15-3-8-27-30-18(13-26-19(15)30)25-11-14-1-2-14/h3-4,7-8,12-14,25H,1-2,5-6,9-11H2,(H,28,31)
InChIKeyKVVPUEYLAZZLFF-UHFFFAOYSA-N
XLogP3.43
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551665) is 3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1ccnn2c(NCC3CC3)cnc12.
What is the InChIKey of 3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is KVVPUEYLAZZLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N7O/c22-21(23)5-9-29(10-6-21)17-4-7-24-12-16(17)28-20(31)15-3-8-27-30-18(13-26-19(15)30)25-11-14-1-2-14/h3-4,7-8,12-14,25H,1-2,5-6,9-11H2,(H,28,31).
What are the key properties of 3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).