N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide

C21H28FN7O2 — CID 90155225

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCc1cnc2ccc(Nc3cc(NC(C)C)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)nn12
InChIInChI=1S/C21H28FN7O2/c1-12(2)26-15-8-18(27-17-6-7-19-24-9-13(3)29(19)28-17)23-10-14(15)20(30)25-11-16(22)21(4,5)31/h6-10,12,16,31H,11H2,1-5H3,(H,25,30)(H2,23,26,27,28)/t16-/m1/s1
InChIKeyUAUQECMKZXAGFZ-MRXNPFEDSA-N
MW429.50 g/mol
LogP2.84
Rot. Bonds8

About N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 90155225) has the molecular formula C21H28FN7O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID90155225
Molecular FormulaC21H28FN7O2
Molecular Weight429.50 g/mol
Exact Mass429.23
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCc1cnc2ccc(Nc3cc(NC(C)C)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)nn12
InChIInChI=1S/C21H28FN7O2/c1-12(2)26-15-8-18(27-17-6-7-19-24-9-13(3)29(19)28-17)23-10-14(15)20(30)25-11-16(22)21(4,5)31/h6-10,12,16,31H,11H2,1-5H3,(H,25,30)(H2,23,26,27,28)/t16-/m1/s1
InChIKeyUAUQECMKZXAGFZ-MRXNPFEDSA-N
XLogP2.84
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 90155225) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is Cc1cnc2ccc(Nc3cc(NC(C)C)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)nn12.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is UAUQECMKZXAGFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28FN7O2/c1-12(2)26-15-8-18(27-17-6-7-19-24-9-13(3)29(19)28-17)23-10-14(15)20(30)25-11-16(22)21(4,5)31/h6-10,12,16,31H,11H2,1-5H3,(H,25,30)(H2,23,26,27,28)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 2.84, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(3-methylimidazo[1,2-b]pyridazin-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).