[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol

C24H28N8O4 — CID 155394505

IUPAC[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol
SMILESCc1cc(-c2nc(C(O)Nc3cc4oc(N5CCOCC5)nc4nc3N[C@H]3CCNC3)co2)ccn1
InChIInChI=1S/C24H28N8O4/c1-14-10-15(2-5-26-14)23-29-18(13-35-23)22(33)28-17-11-19-21(30-20(17)27-16-3-4-25-12-16)31-24(36-19)32-6-8-34-9-7-32/h2,5,10-11,13,16,22,25,28,33H,3-4,6-9,12H2,1H3,(H,27,30)/t16-,22?/m0/s1
InChIKeyHCARBZIAZGDXSP-CISYCMJJSA-N
MW492.54 g/mol
LogP2.29
Rot. Bonds7

About [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol

[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol (PubChem CID 155394505) has the molecular formula C24H28N8O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol.

Molecular Properties

Compound Name[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol
PubChem CID155394505
Molecular FormulaC24H28N8O4
Molecular Weight492.54 g/mol
Exact Mass492.22
IUPAC Name[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol
SMILESCc1cc(-c2nc(C(O)Nc3cc4oc(N5CCOCC5)nc4nc3N[C@H]3CCNC3)co2)ccn1
InChIInChI=1S/C24H28N8O4/c1-14-10-15(2-5-26-14)23-29-18(13-35-23)22(33)28-17-11-19-21(30-20(17)27-16-3-4-25-12-16)31-24(36-19)32-6-8-34-9-7-32/h2,5,10-11,13,16,22,25,28,33H,3-4,6-9,12H2,1H3,(H,27,30)/t16-,22?/m0/s1
InChIKeyHCARBZIAZGDXSP-CISYCMJJSA-N
XLogP2.29
TPSA146.63 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol?
The IUPAC name of [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol (CID 155394505) is [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol.
What is the SMILES notation for [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol?
The canonical SMILES for [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol is Cc1cc(-c2nc(C(O)Nc3cc4oc(N5CCOCC5)nc4nc3N[C@H]3CCNC3)co2)ccn1.
What is the InChIKey of [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol?
The InChIKey is HCARBZIAZGDXSP-CISYCMJJSA-N. The full InChI is InChI=1S/C24H28N8O4/c1-14-10-15(2-5-26-14)23-29-18(13-35-23)22(33)28-17-11-19-21(30-20(17)27-16-3-4-25-12-16)31-24(36-19)32-6-8-34-9-7-32/h2,5,10-11,13,16,22,25,28,33H,3-4,6-9,12H2,1H3,(H,27,30)/t16-,22?/m0/s1.
What are the key properties of [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol?
[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol has a molecular weight of 492.54 g/mol, XLogP of 2.29, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-[[2-morpholin-4-yl-5-[[(3S)-pyrrolidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-6-yl]amino]methanol is sourced from PubChem (CID 155394505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).