(4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile

C22H17N5O — CID 166551367

IUPAC(4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESN#Cc1ccc2c(c1)OCC[C@H]2Nc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C22H17N5O/c23-13-14-1-3-17-19(7-10-28-21(17)11-14)25-16-2-4-20-18(12-16)22(27-26-20)15-5-8-24-9-6-15/h1-6,8-9,11-12,19,25H,7,10H2,(H,26,27)/t19-/m1/s1
InChIKeyVWXCQCAVLRAQIE-LJQANCHMSA-N
MW367.41 g/mol
LogP4.43
Rot. Bonds3

About (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile

(4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile (PubChem CID 166551367) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile.

Molecular Properties

Compound Name(4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile
PubChem CID166551367
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name(4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESN#Cc1ccc2c(c1)OCC[C@H]2Nc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C22H17N5O/c23-13-14-1-3-17-19(7-10-28-21(17)11-14)25-16-2-4-20-18(12-16)22(27-26-20)15-5-8-24-9-6-15/h1-6,8-9,11-12,19,25H,7,10H2,(H,26,27)/t19-/m1/s1
InChIKeyVWXCQCAVLRAQIE-LJQANCHMSA-N
XLogP4.43
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile with MolForge

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Related Compounds

5-{5-[(3S)-3-amino-4-phenylbutoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647010
4-Indolylamino-5-phenyl-3-pyridinecarbonitrile, 12e
CID 24865618
4-Indolylamino-5-phenyl-3-pyridinecarbonitrile, 12f
CID 24865619
6-{5-[(2S)-2-amino-3-(1H-indazol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646997
(2S)-1-(6-(2-methoxyphenyl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11648365
4-(4-methyl-1H-indol-5-ylamino)-5-(4-(3-(piperazin-1-ylmethylamino)propoxy)phenyl)nicotinonitrile
CID 44573903
4-(1H-indol-5-ylamino)-5-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)nicotinonitrile
CID 44573905
5-(3-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 44574310
5-(2-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 44574311
4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-morpholinoethoxy)phenyl)nicotinonitrile
CID 44574312
4-(6-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)nicotinonitrile
CID 44574313
5-(2-methoxystyryl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485052

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
The IUPAC name of (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile (CID 166551367) is (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile.
What is the SMILES notation for (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
The canonical SMILES for (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile is N#Cc1ccc2c(c1)OCC[C@H]2Nc1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
The InChIKey is VWXCQCAVLRAQIE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H17N5O/c23-13-14-1-3-17-19(7-10-28-21(17)11-14)25-16-2-4-20-18(12-16)22(27-26-20)15-5-8-24-9-6-15/h1-6,8-9,11-12,19,25H,7,10H2,(H,26,27)/t19-/m1/s1.
What are the key properties of (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
(4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile has a molecular weight of 367.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile is sourced from PubChem (CID 166551367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).