(5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C24H21N5 — CID 166728012

IUPAC(5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1cc(-c2n[nH]c3ccc(N[C@H]4CCCc5cc(C#N)ccc54)cc23)ccn1
InChIInChI=1S/C24H21N5/c1-15-11-18(9-10-26-15)24-21-13-19(6-8-23(21)28-29-24)27-22-4-2-3-17-12-16(14-25)5-7-20(17)22/h5-13,22,27H,2-4H2,1H3,(H,28,29)/t22-/m0/s1
InChIKeyDPNPYGJVEWBPON-QFIPXVFZSA-N
MW379.47 g/mol
LogP5.29
Rot. Bonds3

About (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

(5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 166728012) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID166728012
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC Name(5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1cc(-c2n[nH]c3ccc(N[C@H]4CCCc5cc(C#N)ccc54)cc23)ccn1
InChIInChI=1S/C24H21N5/c1-15-11-18(9-10-26-15)24-21-13-19(6-8-23(21)28-29-24)27-22-4-2-3-17-12-16(14-25)5-7-20(17)22/h5-13,22,27H,2-4H2,1H3,(H,28,29)/t22-/m0/s1
InChIKeyDPNPYGJVEWBPON-QFIPXVFZSA-N
XLogP5.29
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 166728012) is (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is Cc1cc(-c2n[nH]c3ccc(N[C@H]4CCCc5cc(C#N)ccc54)cc23)ccn1.
What is the InChIKey of (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is DPNPYGJVEWBPON-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21N5/c1-15-11-18(9-10-26-15)24-21-13-19(6-8-23(21)28-29-24)27-22-4-2-3-17-12-16(14-25)5-7-20(17)22/h5-13,22,27H,2-4H2,1H3,(H,28,29)/t22-/m0/s1.
What are the key properties of (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 379.47 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 166728012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).