N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide

C23H31N7O2 — CID 138375396

IUPACN-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2nccc(NC3CCC4NNCC4C3)n2)c1
InChIInChI=1S/C23H31N7O2/c31-22(15-30-8-10-32-11-9-30)27-18-3-1-2-16(12-18)23-24-7-6-21(28-23)26-19-4-5-20-17(13-19)14-25-29-20/h1-3,6-7,12,17,19-20,25,29H,4-5,8-11,13-15H2,(H,27,31)(H,24,26,28)
InChIKeyUJFZLWJXQNGIFX-UHFFFAOYSA-N
MW437.55 g/mol
LogP1.47
Rot. Bonds6

About N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide

N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 138375396) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID138375396
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC NameN-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2nccc(NC3CCC4NNCC4C3)n2)c1
InChIInChI=1S/C23H31N7O2/c31-22(15-30-8-10-32-11-9-30)27-18-3-1-2-16(12-18)23-24-7-6-21(28-23)26-19-4-5-20-17(13-19)14-25-29-20/h1-3,6-7,12,17,19-20,25,29H,4-5,8-11,13-15H2,(H,27,31)(H,24,26,28)
InChIKeyUJFZLWJXQNGIFX-UHFFFAOYSA-N
XLogP1.47
TPSA103.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

6-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide
CID 165414545
2-morpholin-4-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 146124344
N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]quinazolin-2-yl]phenyl]butanamide
CID 91754919
N-(2-tert-butyl-4-pyridinyl)-2-morpholin-4-ylacetamide
CID 110444182
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-morpholin-4-ylacetamide
CID 75499509
N-[4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 164890391
2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 90784917
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide (CID 138375396) is N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cccc(-c2nccc(NC3CCC4NNCC4C3)n2)c1.
What is the InChIKey of N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is UJFZLWJXQNGIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c31-22(15-30-8-10-32-11-9-30)27-18-3-1-2-16(12-18)23-24-7-6-21(28-23)26-19-4-5-20-17(13-19)14-25-29-20/h1-3,6-7,12,17,19-20,25,29H,4-5,8-11,13-15H2,(H,27,31)(H,24,26,28).
What are the key properties of N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide?
N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 437.55 g/mol, XLogP of 1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 138375396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).