2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile

C23H23N5O5 — CID 142908408

IUPAC2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1OC1OC(CO)CC(O)[C@H]1O)CCc1[nH]ncc1-2
InChIInChI=1S/C23H23N5O5/c24-8-14-19(13-5-6-16-15(9-26-28-16)20(13)27-22(14)25)12-3-1-2-4-18(12)33-23-21(31)17(30)7-11(10-29)32-23/h1-4,9,11,17,21,23,29-31H,5-7,10H2,(H2,25,27)(H,26,28)/t11?,17?,21-,23?/m1/s1
InChIKeyDCSUEKJKZSABFD-UYWLRDGESA-N
MW449.47 g/mol
LogP0.90
Rot. Bonds4

About 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile

2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile (PubChem CID 142908408) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 g/mol. Its IUPAC name is 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile
PubChem CID142908408
Molecular FormulaC23H23N5O5
Molecular Weight449.47 g/mol
Exact Mass449.17
IUPAC Name2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1OC1OC(CO)CC(O)[C@H]1O)CCc1[nH]ncc1-2
InChIInChI=1S/C23H23N5O5/c24-8-14-19(13-5-6-16-15(9-26-28-16)20(13)27-22(14)25)12-3-1-2-4-18(12)33-23-21(31)17(30)7-11(10-29)32-23/h1-4,9,11,17,21,23,29-31H,5-7,10H2,(H2,25,27)(H,26,28)/t11?,17?,21-,23?/m1/s1
InChIKeyDCSUEKJKZSABFD-UYWLRDGESA-N
XLogP0.90
TPSA170.53 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 50.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile with MolForge

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Related Compounds

2-amino-4-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87964448
2-amino-4-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87964801
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-7-methoxy-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 56748740
6-(hydroxymethyl)-2-naphthalen-2-yloxyoxane-3,4-diol
CID 2835137
2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 10424154
2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 1132555
2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56876489
2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 10137889
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277774
4-(2-methoxyphenyl)-5,6-dihydrobenzo[h]quinoline-2,3-diamine
CID 71191881
2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162307678

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile (CID 142908408) is 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccccc1OC1OC(CO)CC(O)[C@H]1O)CCc1[nH]ncc1-2.
What is the InChIKey of 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile?
The InChIKey is DCSUEKJKZSABFD-UYWLRDGESA-N. The full InChI is InChI=1S/C23H23N5O5/c24-8-14-19(13-5-6-16-15(9-26-28-16)20(13)27-22(14)25)12-3-1-2-4-18(12)33-23-21(31)17(30)7-11(10-29)32-23/h1-4,9,11,17,21,23,29-31H,5-7,10H2,(H2,25,27)(H,26,28)/t11?,17?,21-,23?/m1/s1.
What are the key properties of 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile?
2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile has a molecular weight of 449.47 g/mol, XLogP of 0.90, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[(3R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile is sourced from PubChem (CID 142908408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).