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

C23H19N5O — CID 166551406

IUPAC(4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESCc1cc(-c2n[nH]c3ccc(N[C@@H]4CCOc5cc(C#N)ccc54)cc23)ccn1
InChIInChI=1S/C23H19N5O/c1-14-10-16(6-8-25-14)23-19-12-17(3-5-21(19)27-28-23)26-20-7-9-29-22-11-15(13-24)2-4-18(20)22/h2-6,8,10-12,20,26H,7,9H2,1H3,(H,27,28)/t20-/m1/s1
InChIKeyAFCXAERUVDFGQF-HXUWFJFHSA-N
MW381.44 g/mol
LogP4.74
Rot. Bonds3

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

(4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile (PubChem CID 166551406) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is (4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile.

Molecular Properties

Compound Name(4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile
PubChem CID166551406
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name(4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESCc1cc(-c2n[nH]c3ccc(N[C@@H]4CCOc5cc(C#N)ccc54)cc23)ccn1
InChIInChI=1S/C23H19N5O/c1-14-10-16(6-8-25-14)23-19-12-17(3-5-21(19)27-28-23)26-20-7-9-29-22-11-15(13-24)2-4-18(20)22/h2-6,8,10-12,20,26H,7,9H2,1H3,(H,27,28)/t20-/m1/s1
InChIKeyAFCXAERUVDFGQF-HXUWFJFHSA-N
XLogP4.74
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-{5-[(2S)-2-amino-3-(2,4,6-trimethylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732278
5-{5-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647004
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
5-{5-[(2S)-2-amino-3-[3-(piperidin-4-ylmethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731663
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
(S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-phenylpyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11690618
4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)nicotinonitrile
CID 24825721
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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
The IUPAC name of (4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile (CID 166551406) is (4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile.
What is the SMILES notation for (4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
The canonical SMILES for (4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile is Cc1cc(-c2n[nH]c3ccc(N[C@@H]4CCOc5cc(C#N)ccc54)cc23)ccn1.
What is the InChIKey of (4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
The InChIKey is AFCXAERUVDFGQF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19N5O/c1-14-10-16(6-8-25-14)23-19-12-17(3-5-21(19)27-28-23)26-20-7-9-29-22-11-15(13-24)2-4-18(20)22/h2-6,8,10-12,20,26H,7,9H2,1H3,(H,27,28)/t20-/m1/s1.
What are the key properties of (4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile?
(4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile has a molecular weight of 381.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-3,4-dihydro-2H-chromene-7-carbonitrile is sourced from PubChem (CID 166551406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).