4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C20H23N5O4 — CID 155514805

IUPAC4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(-c2cc3c(NC(CO)[C@H](O)C4CC4)c(C(N)=O)cnn3c2)cn1
InChIInChI=1S/C20H23N5O4/c1-29-17-5-4-12(7-22-17)13-6-16-18(14(20(21)28)8-23-25(16)9-13)24-15(10-26)19(27)11-2-3-11/h4-9,11,15,19,24,26-27H,2-3,10H2,1H3,(H2,21,28)/t15?,19-/m1/s1
InChIKeyGIAVIMLLWTWHHZ-XCWJXAQQSA-N
MW397.44 g/mol
LogP1.05
Rot. Bonds8

About 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155514805) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID155514805
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(-c2cc3c(NC(CO)[C@H](O)C4CC4)c(C(N)=O)cnn3c2)cn1
InChIInChI=1S/C20H23N5O4/c1-29-17-5-4-12(7-22-17)13-6-16-18(14(20(21)28)8-23-25(16)9-13)24-15(10-26)19(27)11-2-3-11/h4-9,11,15,19,24,26-27H,2-3,10H2,1H3,(H2,21,28)/t15?,19-/m1/s1
InChIKeyGIAVIMLLWTWHHZ-XCWJXAQQSA-N
XLogP1.05
TPSA135.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 155514805) is 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is COc1ccc(-c2cc3c(NC(CO)[C@H](O)C4CC4)c(C(N)=O)cnn3c2)cn1.
What is the InChIKey of 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GIAVIMLLWTWHHZ-XCWJXAQQSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-29-17-5-4-12(7-22-17)13-6-16-18(14(20(21)28)8-23-25(16)9-13)24-15(10-26)19(27)11-2-3-11/h4-9,11,15,19,24,26-27H,2-3,10H2,1H3,(H2,21,28)/t15?,19-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.05, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropyl-1,3-dihydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155514805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).