3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide

C22H25N5O5 — CID 6723159

IUPAC3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc2cn[nH]c2c1)c1cc(O)cc(CN2CCOCC2)c1
InChIInChI=1S/C22H25N5O5/c28-13-20(22(31)24-17-2-1-15-11-23-26-19(15)10-17)25-21(30)16-7-14(8-18(29)9-16)12-27-3-5-32-6-4-27/h1-2,7-11,20,28-29H,3-6,12-13H2,(H,23,26)(H,24,31)(H,25,30)/t20-/m0/s1
InChIKeyYGDYIRJTAQKJLI-FQEVSTJZSA-N
MW439.47 g/mol
LogP0.83
Rot. Bonds7

About 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide

3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide (PubChem CID 6723159) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
PubChem CID6723159
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc2cn[nH]c2c1)c1cc(O)cc(CN2CCOCC2)c1
InChIInChI=1S/C22H25N5O5/c28-13-20(22(31)24-17-2-1-15-11-23-26-19(15)10-17)25-21(30)16-7-14(8-18(29)9-16)12-27-3-5-32-6-4-27/h1-2,7-11,20,28-29H,3-6,12-13H2,(H,23,26)(H,24,31)(H,25,30)/t20-/m0/s1
InChIKeyYGDYIRJTAQKJLI-FQEVSTJZSA-N
XLogP0.83
TPSA139.81 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 50.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide (CID 6723159) is 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide is O=C(N[C@@H](CO)C(=O)Nc1ccc2cn[nH]c2c1)c1cc(O)cc(CN2CCOCC2)c1.
What is the InChIKey of 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
The InChIKey is YGDYIRJTAQKJLI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N5O5/c28-13-20(22(31)24-17-2-1-15-11-23-26-19(15)10-17)25-21(30)16-7-14(8-18(29)9-16)12-27-3-5-32-6-4-27/h1-2,7-11,20,28-29H,3-6,12-13H2,(H,23,26)(H,24,31)(H,25,30)/t20-/m0/s1.
What are the key properties of 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide has a molecular weight of 439.47 g/mol, XLogP of 0.83, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-5-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 6723159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).