N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine

C17H14N10O — CID 67535071

IUPACN-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine
SMILESCc1nc(Nc2ccon2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1
InChIInChI=1S/C17H14N10O/c1-10-20-11(9-14(21-10)22-13-5-8-28-26-13)16-17(23-12-4-7-18-25-12)24-15-3-2-6-19-27(15)16/h2-9H,1H3,(H2,18,23,25)(H,20,21,22,26)
InChIKeyDGCYXEYFURROSZ-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.69
Rot. Bonds5

About N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine

N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine (PubChem CID 67535071) has the molecular formula C17H14N10O and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine
PubChem CID67535071
Molecular FormulaC17H14N10O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine
SMILESCc1nc(Nc2ccon2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1
InChIInChI=1S/C17H14N10O/c1-10-20-11(9-14(21-10)22-13-5-8-28-26-13)16-17(23-12-4-7-18-25-12)24-15-3-2-6-19-27(15)16/h2-9H,1H3,(H2,18,23,25)(H,20,21,22,26)
InChIKeyDGCYXEYFURROSZ-UHFFFAOYSA-N
XLogP2.69
TPSA134.74 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine?
The IUPAC name of N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine (CID 67535071) is N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine is Cc1nc(Nc2ccon2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1.
What is the InChIKey of N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine?
The InChIKey is DGCYXEYFURROSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N10O/c1-10-20-11(9-14(21-10)22-13-5-8-28-26-13)16-17(23-12-4-7-18-25-12)24-15-3-2-6-19-27(15)16/h2-9H,1H3,(H2,18,23,25)(H,20,21,22,26).
What are the key properties of N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine?
N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine has a molecular weight of 374.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 67535071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).