6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C19H21N5O — CID 91937354

IUPAC6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3ccccc3)cc2c1N[C@@H]1CCCNC1
InChIInChI=1S/C19H21N5O/c20-19(25)16-11-22-24-12-14(13-5-2-1-3-6-13)9-17(24)18(16)23-15-7-4-8-21-10-15/h1-3,5-6,9,11-12,15,21,23H,4,7-8,10H2,(H2,20,25)/t15-/m1/s1
InChIKeyRFTYYGFGZYEHHU-OAHLLOKOSA-N
MW335.41 g/mol
LogP2.26
Rot. Bonds4

About 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937354) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID91937354
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3ccccc3)cc2c1N[C@@H]1CCCNC1
InChIInChI=1S/C19H21N5O/c20-19(25)16-11-22-24-12-14(13-5-2-1-3-6-13)9-17(24)18(16)23-15-7-4-8-21-10-15/h1-3,5-6,9,11-12,15,21,23H,4,7-8,10H2,(H2,20,25)/t15-/m1/s1
InChIKeyRFTYYGFGZYEHHU-OAHLLOKOSA-N
XLogP2.26
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
Safimaltib
CID 134609793
Edecesertib
CID 147817927
4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 117769575
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
Pyrrolopyridine, 9
CID 16719862
Pyrrolopyridine, 30
CID 16720208
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
7-phenyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190891
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937354) is 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cc(-c3ccccc3)cc2c1N[C@@H]1CCCNC1.
What is the InChIKey of 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is RFTYYGFGZYEHHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O/c20-19(25)16-11-22-24-12-14(13-5-2-1-3-6-13)9-17(24)18(16)23-15-7-4-8-21-10-15/h1-3,5-6,9,11-12,15,21,23H,4,7-8,10H2,(H2,20,25)/t15-/m1/s1.
What are the key properties of 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).