6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide

C30H32FN9O3 — CID 138703394

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnc(N2CC3(CCOCC3)C2)nc1
InChIInChI=1S/C30H32FN9O3/c1-29(2,42)26(31)16-34-27(41)22-15-33-24(25-4-3-21-9-19(11-32)12-37-40(21)25)10-23(22)38-20-13-35-28(36-14-20)39-17-30(18-39)5-7-43-8-6-30/h3-4,9-10,12-15,26,42H,5-8,16-18H2,1-2H3,(H,33,38)(H,34,41)/t26-/m1/s1
InChIKeyBDSFVIVHSCSSMG-AREMUKBSSA-N
MW585.64 g/mol
LogP3.26
Rot. Bonds8

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide (PubChem CID 138703394) has the molecular formula C30H32FN9O3 and a molecular weight of 585.64 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide
PubChem CID138703394
Molecular FormulaC30H32FN9O3
Molecular Weight585.64 g/mol
Exact Mass585.26
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnc(N2CC3(CCOCC3)C2)nc1
InChIInChI=1S/C30H32FN9O3/c1-29(2,42)26(31)16-34-27(41)22-15-33-24(25-4-3-21-9-19(11-32)12-37-40(21)25)10-23(22)38-20-13-35-28(36-14-20)39-17-30(18-39)5-7-43-8-6-30/h3-4,9-10,12-15,26,42H,5-8,16-18H2,1-2H3,(H,33,38)(H,34,41)/t26-/m1/s1
InChIKeyBDSFVIVHSCSSMG-AREMUKBSSA-N
XLogP3.26
TPSA153.59 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.64
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-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 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide (CID 138703394) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnc(N2CC3(CCOCC3)C2)nc1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide?
The InChIKey is BDSFVIVHSCSSMG-AREMUKBSSA-N. The full InChI is InChI=1S/C30H32FN9O3/c1-29(2,42)26(31)16-34-27(41)22-15-33-24(25-4-3-21-9-19(11-32)12-37-40(21)25)10-23(22)38-20-13-35-28(36-14-20)39-17-30(18-39)5-7-43-8-6-30/h3-4,9-10,12-15,26,42H,5-8,16-18H2,1-2H3,(H,33,38)(H,34,41)/t26-/m1/s1.
What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide has a molecular weight of 585.64 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).