4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

C25H26N4O3 — CID 77463908

IUPAC4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(OCc1ccccc1)C(CO)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12
InChIInChI=1S/C25H26N4O3/c1-17(32-16-18-8-4-2-5-9-18)22(15-30)28-24-21(25(26)31)13-27-29-14-20(12-23(24)29)19-10-6-3-7-11-19/h2-14,17,22,28,30H,15-16H2,1H3,(H2,26,31)
InChIKeyQUWZLCDOXCUPOD-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.48
Rot. Bonds9

About 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77463908) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77463908
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(OCc1ccccc1)C(CO)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12
InChIInChI=1S/C25H26N4O3/c1-17(32-16-18-8-4-2-5-9-18)22(15-30)28-24-21(25(26)31)13-27-29-14-20(12-23(24)29)19-10-6-3-7-11-19/h2-14,17,22,28,30H,15-16H2,1H3,(H2,26,31)
InChIKeyQUWZLCDOXCUPOD-UHFFFAOYSA-N
XLogP3.48
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77463908) is 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide is CC(OCc1ccccc1)C(CO)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12.
What is the InChIKey of 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QUWZLCDOXCUPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(32-16-18-8-4-2-5-9-18)22(15-30)28-24-21(25(26)31)13-27-29-14-20(12-23(24)29)19-10-6-3-7-11-19/h2-14,17,22,28,30H,15-16H2,1H3,(H2,26,31).
What are the key properties of 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-phenylmethoxybutan-2-yl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77463908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).