6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide

C24H26N6O2 — CID 138704198

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC1CC2(CC(O)C2)C1
InChIInChI=1S/C24H26N6O2/c1-14(2)28-20-6-21(22-4-3-17-5-15(11-25)12-27-30(17)22)26-13-19(20)23(32)29-16-7-24(8-16)9-18(31)10-24/h3-6,12-14,16,18,31H,7-10H2,1-2H3,(H,26,28)(H,29,32)
InChIKeyRXZMQOKHTSDURB-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.12
Rot. Bonds5

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 138704198) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID138704198
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC1CC2(CC(O)C2)C1
InChIInChI=1S/C24H26N6O2/c1-14(2)28-20-6-21(22-4-3-17-5-15(11-25)12-27-30(17)22)26-13-19(20)23(32)29-16-7-24(8-16)9-18(31)10-24/h3-6,12-14,16,18,31H,7-10H2,1-2H3,(H,26,28)(H,29,32)
InChIKeyRXZMQOKHTSDURB-UHFFFAOYSA-N
XLogP3.12
TPSA115.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(1,1-dihydroxythiolan-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 138703648
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[3-(2-oxopropyl)cyclobutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 162221154
[6-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[(2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl]-4-pyridinyl]amino]spiro[3.3]heptan-2-yl]carbamic acid
CID 135307804
N-(3-amino-2,2-difluoropropyl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 135307763
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 138704785
7-[5-[(1,1-dioxothietan-3-yl)carbamoyl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 138703966
7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 156836571
N-(cyanomethyl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(2-hydroxy-2-methylspiro[3.3]heptan-6-yl)amino]pyridine-3-carboxamide
CID 138703582
tert-butyl N-[3-[[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carbonyl]amino]-2,2-difluoropropyl]carbamate
CID 139316143
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-methyl-4-[[3-(methylcarbamoyl)cyclobutyl]amino]pyridine-3-carboxamide
CID 138703669
methyl N-[4-[[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carbonyl]amino]-1,1-difluoro-2-methylbutan-2-yl]carbamate
CID 139315953
4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 147817927

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 138704198) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC1CC2(CC(O)C2)C1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is RXZMQOKHTSDURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14(2)28-20-6-21(22-4-3-17-5-15(11-25)12-27-30(17)22)26-13-19(20)23(32)29-16-7-24(8-16)9-18(31)10-24/h3-6,12-14,16,18,31H,7-10H2,1-2H3,(H,26,28)(H,29,32).
What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 138704198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).