[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol

C15H16FN7O — CID 126708947

IUPAC[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol
SMILESOC(Nc1cncnc1)c1cnc2ccc(N3CC[C@H](F)C3)nn12
InChIInChI=1S/C15H16FN7O/c16-10-3-4-22(8-10)14-2-1-13-19-7-12(23(13)21-14)15(24)20-11-5-17-9-18-6-11/h1-2,5-7,9-10,15,20,24H,3-4,8H2/t10-,15?/m0/s1
InChIKeyIDSOPSAUIZFQJU-MYHCZTBNSA-N
MW329.34 g/mol
LogP1.17
Rot. Bonds4

About [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol

[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol (PubChem CID 126708947) has the molecular formula C15H16FN7O and a molecular weight of 329.34 g/mol. Its IUPAC name is [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol.

Molecular Properties

Compound Name[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol
PubChem CID126708947
Molecular FormulaC15H16FN7O
Molecular Weight329.34 g/mol
Exact Mass329.14
IUPAC Name[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol
SMILESOC(Nc1cncnc1)c1cnc2ccc(N3CC[C@H](F)C3)nn12
InChIInChI=1S/C15H16FN7O/c16-10-3-4-22(8-10)14-2-1-13-19-7-12(23(13)21-14)15(24)20-11-5-17-9-18-6-11/h1-2,5-7,9-10,15,20,24H,3-4,8H2/t10-,15?/m0/s1
InChIKeyIDSOPSAUIZFQJU-MYHCZTBNSA-N
XLogP1.17
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol?
The IUPAC name of [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol (CID 126708947) is [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol.
What is the SMILES notation for [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol?
The canonical SMILES for [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol is OC(Nc1cncnc1)c1cnc2ccc(N3CC[C@H](F)C3)nn12.
What is the InChIKey of [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol?
The InChIKey is IDSOPSAUIZFQJU-MYHCZTBNSA-N. The full InChI is InChI=1S/C15H16FN7O/c16-10-3-4-22(8-10)14-2-1-13-19-7-12(23(13)21-14)15(24)20-11-5-17-9-18-6-11/h1-2,5-7,9-10,15,20,24H,3-4,8H2/t10-,15?/m0/s1.
What are the key properties of [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol?
[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol has a molecular weight of 329.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol is sourced from PubChem (CID 126708947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).