3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine

C33H43N13O2 — CID 121421007

IUPAC3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(NCCCN3CCOCC3)nn3ccccc23)N=C1Nc1c(NCCCN2CCOCC2)nn2ccccc12
InChIInChI=1S/C33H43N13O2/c34-24-23-25(35)31(39-29-27-8-2-4-14-46(27)42-33(29)37-10-6-12-44-17-21-48-22-18-44)40-30(24)38-28-26-7-1-3-13-45(26)41-32(28)36-9-5-11-43-15-19-47-20-16-43/h1-4,7-8,13-14,23,34H,5-6,9-12,15-22,35H2,(H,36,41)(H,37,42)(H,38,39,40)/b34-24+
InChIKeyGDCSIZSMOPOIEF-JGRMKTMXSA-N
MW653.80 g/mol
LogP2.67
Rot. Bonds12

About 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine

3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 121421007) has the molecular formula C33H43N13O2 and a molecular weight of 653.80 g/mol. Its IUPAC name is 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID121421007
Molecular FormulaC33H43N13O2
Molecular Weight653.80 g/mol
Exact Mass653.37
IUPAC Name3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(NCCCN3CCOCC3)nn3ccccc23)N=C1Nc1c(NCCCN2CCOCC2)nn2ccccc12
InChIInChI=1S/C33H43N13O2/c34-24-23-25(35)31(39-29-27-8-2-4-14-46(27)42-33(29)37-10-6-12-44-17-21-48-22-18-44)40-30(24)38-28-26-7-1-3-13-45(26)41-32(28)36-9-5-11-43-15-19-47-20-16-43/h1-4,7-8,13-14,23,34H,5-6,9-12,15-22,35H2,(H,36,41)(H,37,42)(H,38,39,40)/b34-24+
InChIKeyGDCSIZSMOPOIEF-JGRMKTMXSA-N
XLogP2.67
TPSA170.22 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.80
LogP ≤ 52.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine with MolForge

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Related Compounds

3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine
CID 121421060
7-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-3,4-dihydro-2H-1,4-benzoxazin-6-one
CID 59561363
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
CID 59561276
2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol
CID 58611183
2-[6-amino-4-imino-3-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-1,5-dien-1-yl]oxyethanol
CID 59561390
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one
CID 91506519
2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462640
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143987

Frequently Asked Questions

What is the IUPAC name of 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine (CID 121421007) is 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(NCCCN3CCOCC3)nn3ccccc23)N=C1Nc1c(NCCCN2CCOCC2)nn2ccccc12.
What is the InChIKey of 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is GDCSIZSMOPOIEF-JGRMKTMXSA-N. The full InChI is InChI=1S/C33H43N13O2/c34-24-23-25(35)31(39-29-27-8-2-4-14-46(27)42-33(29)37-10-6-12-44-17-21-48-22-18-44)40-30(24)38-28-26-7-1-3-13-45(26)41-32(28)36-9-5-11-43-15-19-47-20-16-43/h1-4,7-8,13-14,23,34H,5-6,9-12,15-22,35H2,(H,36,41)(H,37,42)(H,38,39,40)/b34-24+.
What are the key properties of 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine?
3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 653.80 g/mol, XLogP of 2.67, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 121421007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).