N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C17H22N8O — CID 162666365

IUPACN-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cnc2ccc(N[C@@H]3CCCNC3)nn12
InChIInChI=1S/C17H22N8O/c1-11-13(10-24(2)22-11)21-17(26)14-9-19-16-6-5-15(23-25(14)16)20-12-4-3-7-18-8-12/h5-6,9-10,12,18H,3-4,7-8H2,1-2H3,(H,20,23)(H,21,26)/t12-/m1/s1
InChIKeyDWDLVABDGRLTNI-GFCCVEGCSA-N
MW354.42 g/mol
LogP1.19
Rot. Bonds4

About N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162666365) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162666365
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cnc2ccc(N[C@@H]3CCCNC3)nn12
InChIInChI=1S/C17H22N8O/c1-11-13(10-24(2)22-11)21-17(26)14-9-19-16-6-5-15(23-25(14)16)20-12-4-3-7-18-8-12/h5-6,9-10,12,18H,3-4,7-8H2,1-2H3,(H,20,23)(H,21,26)/t12-/m1/s1
InChIKeyDWDLVABDGRLTNI-GFCCVEGCSA-N
XLogP1.19
TPSA101.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 162666365) is N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1nn(C)cc1NC(=O)c1cnc2ccc(N[C@@H]3CCCNC3)nn12.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DWDLVABDGRLTNI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N8O/c1-11-13(10-24(2)22-11)21-17(26)14-9-19-16-6-5-15(23-25(14)16)20-12-4-3-7-18-8-12/h5-6,9-10,12,18H,3-4,7-8H2,1-2H3,(H,20,23)(H,21,26)/t12-/m1/s1.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162666365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).