4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one

C19H20ClF3N8O2 — CID 166132215

IUPAC4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESC[C@@H](COCc1nn2c(c1Cl)CN(c1ncccn1)CC2)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C19H20ClF3N8O2/c1-11(27-12-7-26-28-17(32)15(12)19(21,22)23)9-33-10-13-16(20)14-8-30(5-6-31(14)29-13)18-24-3-2-4-25-18/h2-4,7,11H,5-6,8-10H2,1H3,(H2,27,28,32)/t11-/m0/s1
InChIKeyKDNLNPINVZCGSP-NSHDSACASA-N
MW484.87 g/mol
LogP2.47
Rot. Bonds7

About 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one

4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 166132215) has the molecular formula C19H20ClF3N8O2 and a molecular weight of 484.87 g/mol. Its IUPAC name is 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID166132215
Molecular FormulaC19H20ClF3N8O2
Molecular Weight484.87 g/mol
Exact Mass484.13
IUPAC Name4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESC[C@@H](COCc1nn2c(c1Cl)CN(c1ncccn1)CC2)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C19H20ClF3N8O2/c1-11(27-12-7-26-28-17(32)15(12)19(21,22)23)9-33-10-13-16(20)14-8-30(5-6-31(14)29-13)18-24-3-2-4-25-18/h2-4,7,11H,5-6,8-10H2,1H3,(H2,27,28,32)/t11-/m0/s1
InChIKeyKDNLNPINVZCGSP-NSHDSACASA-N
XLogP2.47
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.87
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 166132215) is 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one is C[C@@H](COCc1nn2c(c1Cl)CN(c1ncccn1)CC2)Nc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is KDNLNPINVZCGSP-NSHDSACASA-N. The full InChI is InChI=1S/C19H20ClF3N8O2/c1-11(27-12-7-26-28-17(32)15(12)19(21,22)23)9-33-10-13-16(20)14-8-30(5-6-31(14)29-13)18-24-3-2-4-25-18/h2-4,7,11H,5-6,8-10H2,1H3,(H2,27,28,32)/t11-/m0/s1.
What are the key properties of 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 484.87 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-[(3-chloro-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 166132215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).