3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine

C22H30N5O5P — CID 158388752

IUPAC3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine
SMILESCC[C@H](NP(=O)(CO[C@H](C)Cn1cnc2c(N)ccnc21)Oc1ccccc1)C1OCCO1
InChIInChI=1S/C22H30N5O5P/c1-3-19(22-29-11-12-30-22)26-33(28,32-17-7-5-4-6-8-17)15-31-16(2)13-27-14-25-20-18(23)9-10-24-21(20)27/h4-10,14,16,19,22H,3,11-13,15H2,1-2H3,(H2,23,24)(H,26,28)/t16-,19+,33?/m1/s1
InChIKeyVKQWKUJWTAKBPU-MDBKQVQPSA-N
MW475.49 g/mol
LogP3.39
Rot. Bonds11

About 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine

3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine (PubChem CID 158388752) has the molecular formula C22H30N5O5P and a molecular weight of 475.49 g/mol. Its IUPAC name is 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine
PubChem CID158388752
Molecular FormulaC22H30N5O5P
Molecular Weight475.49 g/mol
Exact Mass475.20
IUPAC Name3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine
SMILESCC[C@H](NP(=O)(CO[C@H](C)Cn1cnc2c(N)ccnc21)Oc1ccccc1)C1OCCO1
InChIInChI=1S/C22H30N5O5P/c1-3-19(22-29-11-12-30-22)26-33(28,32-17-7-5-4-6-8-17)15-31-16(2)13-27-14-25-20-18(23)9-10-24-21(20)27/h4-10,14,16,19,22H,3,11-13,15H2,1-2H3,(H2,23,24)(H,26,28)/t16-,19+,33?/m1/s1
InChIKeyVKQWKUJWTAKBPU-MDBKQVQPSA-N
XLogP3.39
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

3-[(2R)-2-[[[[(1S)-1-(1,3-dioxepan-2-yl)ethyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine
CID 162068923
9-[2-[[[[1-(1,3-dioxolan-2-yl)-2-methylpropyl]amino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine
CID 155408974
9-[(2R)-2-[[[[(1S)-1-(1,4-dioxan-2-yl)ethyl]amino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine
CID 156523033
9-[(2R)-2-[[phenoxy-[[(1R)-1-propan-2-yloxyethyl]amino]phosphoryl]methoxy]propyl]purin-6-amine
CID 141475805
propan-2-yl (2R)-2-[[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 129407224
2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoic acid;(E)-but-2-enedioic acid
CID 138556306
3-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]butyl acetate
CID 142622660
methyl 3-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]oxetane-3-carboxylate
CID 166551834
(E)-but-2-enedioic acid;bis(propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate)
CID 71492247
(E)-but-2-enedioic acid;propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 68516365
(E)-but-2-enedioic acid;propan-2-yl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-phenoxyphosphoryl]amino]propanoate
CID 155433806
(E)-but-2-enedioic acid;cyclobutyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-phenoxyphosphoryl]amino]propanoate
CID 138556257

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine (CID 158388752) is 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine is CC[C@H](NP(=O)(CO[C@H](C)Cn1cnc2c(N)ccnc21)Oc1ccccc1)C1OCCO1.
What is the InChIKey of 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine?
The InChIKey is VKQWKUJWTAKBPU-MDBKQVQPSA-N. The full InChI is InChI=1S/C22H30N5O5P/c1-3-19(22-29-11-12-30-22)26-33(28,32-17-7-5-4-6-8-17)15-31-16(2)13-27-14-25-20-18(23)9-10-24-21(20)27/h4-10,14,16,19,22H,3,11-13,15H2,1-2H3,(H2,23,24)(H,26,28)/t16-,19+,33?/m1/s1.
What are the key properties of 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine?
3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine has a molecular weight of 475.49 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[[[[(1S)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]methoxy]propyl]imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 158388752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).