N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

C38H46N18O2 — CID 143756850

IUPACN-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCC.CNn1cc(-c2cnc3c(Nc4ccnc(OCCNN)c4)nccn23)cn1.c1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc(OC2CCNC2)n1
InChIInChI=1S/C18H18N8O.C17H20N10O.C3H8/c1-4-20-16(27-14-2-3-19-10-14)7-13(1)25-17-18-22-11-15(12-8-23-24-9-12)26(18)6-5-21-17;1-19-27-11-12(9-24-27)14-10-22-17-16(21-4-6-26(14)17)25-13-2-3-20-15(8-13)28-7-5-23-18;1-3-2/h1,4-9,11,14,19H,2-3,10H2,(H,23,24)(H,20,21,25);2-4,6,8-11,19,23H,5,7,18H2,1H3,(H,20,21,25);3H2,1-2H3
InChIKeyCYNJNFWRCJUECG-UHFFFAOYSA-N
MW786.91 g/mol
LogP4.16
Rot. Bonds13

About N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143756850) has the molecular formula C38H46N18O2 and a molecular weight of 786.91 g/mol. Its IUPAC name is N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID143756850
Molecular FormulaC38H46N18O2
Molecular Weight786.91 g/mol
Exact Mass786.41
IUPAC NameN-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCC.CNn1cc(-c2cnc3c(Nc4ccnc(OCCNN)c4)nccn23)cn1.c1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc(OC2CCNC2)n1
InChIInChI=1S/C18H18N8O.C17H20N10O.C3H8/c1-4-20-16(27-14-2-3-19-10-14)7-13(1)25-17-18-22-11-15(12-8-23-24-9-12)26(18)6-5-21-17;1-19-27-11-12(9-24-27)14-10-22-17-16(21-4-6-26(14)17)25-13-2-3-20-15(8-13)28-7-5-23-18;1-3-2/h1,4-9,11,14,19H,2-3,10H2,(H,23,24)(H,20,21,25);2-4,6,8-11,19,23H,5,7,18H2,1H3,(H,20,21,25);3H2,1-2H3
InChIKeyCYNJNFWRCJUECG-UHFFFAOYSA-N
XLogP4.16
TPSA237.29 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.91
LogP ≤ 54.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Related Compounds

N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 90677029
(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
CID 139344478
N-[5-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175079174
6-[7-(2-morpholin-4-ylethoxy)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 134284284
7-methoxy-6-(1H-pyrazol-4-yl)-3-(6-pyrrolidin-3-yloxy-2-pyridinyl)imidazo[1,2-a]pyridine
CID 134284293
6-[7-methoxy-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 142294678
(3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366370
N-(3-fluoro-2-pyridyl)-5-[6-(1-methylpyrrolidin-3-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66551311
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137313237
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137488854
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 138603594
(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 139365229

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (CID 143756850) is N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is CCC.CNn1cc(-c2cnc3c(Nc4ccnc(OCCNN)c4)nccn23)cn1.c1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc(OC2CCNC2)n1.
What is the InChIKey of N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is CYNJNFWRCJUECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O.C17H20N10O.C3H8/c1-4-20-16(27-14-2-3-19-10-14)7-13(1)25-17-18-22-11-15(12-8-23-24-9-12)26(18)6-5-21-17;1-19-27-11-12(9-24-27)14-10-22-17-16(21-4-6-26(14)17)25-13-2-3-20-15(8-13)28-7-5-23-18;1-3-2/h1,4-9,11,14,19H,2-3,10H2,(H,23,24)(H,20,21,25);2-4,6,8-11,19,23H,5,7,18H2,1H3,(H,20,21,25);3H2,1-2H3.
What are the key properties of N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 786.91 g/mol, XLogP of 4.16, 13 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydrazinylethoxy)-4-pyridinyl]-3-[1-(methylamino)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine;propane;3-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-3-yloxy-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143756850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).