N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

C22H25N5O4 — CID 126709126

IUPACN-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc2n(c1C(=O)NC1=CC=CCN1)NC(c1cccc(OC[C@H](O)CO)c1)C=C2
InChIInChI=1S/C22H25N5O4/c1-14-21(22(30)25-19-7-2-3-10-23-19)27-20(24-14)9-8-18(26-27)15-5-4-6-17(11-15)31-13-16(29)12-28/h2-9,11,16,18,23,26,28-29H,10,12-13H2,1H3,(H,25,30)/t16-,18?/m1/s1
InChIKeySPAVHQPQEKDERU-PYUWXLGESA-N
MW423.47 g/mol
LogP0.97
Rot. Bonds7

About N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709126) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709126
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc2n(c1C(=O)NC1=CC=CCN1)NC(c1cccc(OC[C@H](O)CO)c1)C=C2
InChIInChI=1S/C22H25N5O4/c1-14-21(22(30)25-19-7-2-3-10-23-19)27-20(24-14)9-8-18(26-27)15-5-4-6-17(11-15)31-13-16(29)12-28/h2-9,11,16,18,23,26,28-29H,10,12-13H2,1H3,(H,25,30)/t16-,18?/m1/s1
InChIKeySPAVHQPQEKDERU-PYUWXLGESA-N
XLogP0.97
TPSA120.67 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709126) is N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is Cc1nc2n(c1C(=O)NC1=CC=CCN1)NC(c1cccc(OC[C@H](O)CO)c1)C=C2.
What is the InChIKey of N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SPAVHQPQEKDERU-PYUWXLGESA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-21(22(30)25-19-7-2-3-10-23-19)27-20(24-14)9-8-18(26-27)15-5-4-6-17(11-15)31-13-16(29)12-28/h2-9,11,16,18,23,26,28-29H,10,12-13H2,1H3,(H,25,30)/t16-,18?/m1/s1.
What are the key properties of N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 0.97, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridin-6-yl)-6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).