4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine

C26H29N5O2 — CID 129373489

IUPAC4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine
SMILESc1ccc(C2=NN3CCC[C@H]3[C@@H]2c2ccnc3cc(OCCN4CCOCC4)ccc23)nc1
InChIInChI=1S/C26H29N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18,24-25H,3,5,11-17H2/t24-,25-/m0/s1
InChIKeyOOKYRHQSMYPHOE-DQEYMECFSA-N
MW443.55 g/mol
LogP3.31
Rot. Bonds6

About 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine

4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine (PubChem CID 129373489) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine
PubChem CID129373489
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine
SMILESc1ccc(C2=NN3CCC[C@H]3[C@@H]2c2ccnc3cc(OCCN4CCOCC4)ccc23)nc1
InChIInChI=1S/C26H29N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18,24-25H,3,5,11-17H2/t24-,25-/m0/s1
InChIKeyOOKYRHQSMYPHOE-DQEYMECFSA-N
XLogP3.31
TPSA63.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine with MolForge

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Related Compounds

4-(2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl)-7-[4-(2,2,2-trifluoroethoxy)phenyl]quinoline
CID 71028784
4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]morpholine
CID 70683517
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
4-[2-[8-(thiophen-2-ylmethoxy)phenazin-2-yl]oxyethyl]morpholine
CID 155191722
4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 10389030
2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)aniline
CID 68998374
4-(7-methoxyquinolin-4-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 11726644
7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
CID 134242877
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
4-[3-[4-(1-hydroxyindol-3-yl)quinazolin-7-yl]oxypropyl]morpholine
CID 139836432
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine (CID 129373489) is 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine is c1ccc(C2=NN3CCC[C@H]3[C@@H]2c2ccnc3cc(OCCN4CCOCC4)ccc23)nc1.
What is the InChIKey of 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine?
The InChIKey is OOKYRHQSMYPHOE-DQEYMECFSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18,24-25H,3,5,11-17H2/t24-,25-/m0/s1.
What are the key properties of 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine?
4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine has a molecular weight of 443.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine is sourced from PubChem (CID 129373489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).